2-azanyl-N-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-1-(2-oxidanylideneethyl)-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide

Systemtic Name: 2-azanyl-N-[7-chloranyl-5-(2-fluorophenyl)-2-oxidanylidene-1-(2-oxidanylideneethyl)-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide Openeye Name: 2-amino-N-[7-chloro-5-(2-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanyl-propanamide CAS Name: 2-amino-N-[7-chloro-5-(2-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3H-1,4-benzodiazepin-3-yl]-3-mercapto-N-methylpropanamide IUPAC Name: 2-amino-N-[7-chloro-5-(2-fluorophenyl)-2-oxo-1-(2-oxoethyl)-3H-1,4-benzodiazepin-3-yl]-N-methyl-3-sulfanylpropanamide Traditional Name: 2-amino-N-[7-chloro-5-(2-fluorophenyl)-2-keto-1-(2-ketoethyl)-3H-1,4-benzodiazepin-3-yl]-3-mercapto-N-methyl-propionamide Formula: C21H20ClFN4O3S MolecularWeight: 462.924903

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC=O)C(=O)C(CS)N

Isomeric SMILES

CN(C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC=O)C(=O)C(CS)N

InChI

InChI=1S/C21H20ClFN4O3S/c1-26(20(29)16(24)11-31)19-21(30)27(8-9-28)17-7-6-12(22)10-14(17)18(25-19)13-4-2-3-5-15(13)23/h2-7,9-10,16,19,31H,8,11,24H2,1H3