methyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-(ethylsulfanylcarbamoylamino)benzoate

Systemtic Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-(ethylsulfanylcarbamoylamino)benzoate Openeye Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-(ethylsulfanylcarbamoylamino)benzoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-[[[(ethylthio)amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-(ethylsulfanylcarbamoylamino)benzoate Traditional Name: 2-[[4-(2-cyanophenyl)benzyl]amino]-3-[(ethylthio)carbamoylamino]benzoic acid methyl ester Formula: C25H24N4O3S MolecularWeight: 460.54806

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Descriptors Computed from Structure

Canonical SMILES:

CCSNC(=O)NC1=CC=CC(=C1NCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OC

Isomeric SMILES

CCSNC(=O)NC1=CC=CC(=C1NCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OC

InChI

InChI=1S/C25H24N4O3S/c1-3-33-29-25(31)28-22-10-6-9-21(24(30)32-2)23(22)27-16-17-11-13-18(14-12-17)20-8-5-4-7-19(20)15-26/h4-14,27H,3,16H2,1-2H3,(H2,28,29,31)