2-[butylcarbamoyl-[4-[ethyl-[2-(methylsulfonylamino)ethyl]amino]-2-methyl-phenyl]amino]-N-[2-chloranyl-5-[1-(2,4-dimethylphenoxy)propoxymethylamino]phenyl]-3-(1-ethylcyclopropyl)-3-oxidanylidene-2-(1,2,4-triazol-1-yl)propanamide

Systemtic Name: 2-[butylcarbamoyl-[4-[ethyl-[2-(methylsulfonylamino)ethyl]amino]-2-methyl-phenyl]amino]-N-[2-chloranyl-5-[1-(2,4-dimethylphenoxy)propoxymethylamino]phenyl]-3-(1-ethylcyclopropyl)-3-oxidanylidene-2-(1,2,4-triazol-1-yl)propanamide Openeye Name: 2-[N-(butylcarbamoyl)-4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methyl-anilino]-N-[2-chloro-5-[1-(2,4-dimethylphenoxy)propoxymethylamino]phenyl]-3-(1-ethylcyclopropyl)-3-oxo-2-(1,2,4-triazol-1-yl)propanamide CAS Name: 2-[N-[butylamino(oxo)methyl]-4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylanilino]-N-[2-chloro-5-[1-(2,4-dimethylphenoxy)propoxymethylamino]phenyl]-3-(1-ethylcyclopropyl)-3-oxo-2-(1,2,4-triazol-1-yl)propanamide IUPAC Name: 2-[N-(butylcarbamoyl)-4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methylanilino]-N-[2-chloro-5-[1-(2,4-dimethylphenoxy)propoxymethylamino]phenyl]-3-(1-ethylcyclopropyl)-3-oxo-2-(1,2,4-triazol-1-yl)propanamide Traditional Name: 2-[N-(butylcarbamoyl)-4-[ethyl-[2-(methanesulfonamido)ethyl]amino]-2-methyl-anilino]-N-[2-chloro-5-[1-(2,4-dimethylphenoxy)propoxymethylamino]phenyl]-3-(1-ethylcyclopropyl)-3-keto-2-(1,2,4-triazol-1-yl)propionamide Formula: C45H62ClN9O7S MolecularWeight: 908.54788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N(C1=C(C=C(C=C1)N(CC)CCNS(=O)(=O)C)C)C(C(=O)C2(CC2)CC)(C(=O)NC3=C(C=CC(=C3)NCOC(CC)OC4=C(C=C(C=C4)C)C)Cl)N5C=NC=N5

Isomeric SMILES

CCCCNC(=O)N(C1=C(C=C(C=C1)N(CC)CCNS(=O)(=O)C)C)C(C(=O)C2(CC2)CC)(C(=O)NC3=C(C=CC(=C3)NCOC(CC)OC4=C(C=C(C=C4)C)C)Cl)N5C=NC=N5

InChI

InChI=1S/C45H62ClN9O7S/c1-9-13-22-48-43(58)55(38-18-16-35(26-32(38)6)53(12-4)24-23-51-63(8,59)60)45(54-29-47-28-50-54,41(56)44(11-3)20-21-44)42(57)52-37-27-34(15-17-36(37)46)49-30-61-40(10-2)62-39-19-14-31(5)25-33(39)7/h14-19,25-29,40,49,51H,9-13,20-24,30H2,1-8H3,(H,48,58)(H,52,57)