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

Systemtic Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-(methylsulfanylcarbamoylamino)benzoate Openeye Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-(methylsulfanylcarbamoylamino)benzoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-[[[(methylthio)amino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-(methylsulfanylcarbamoylamino)benzoate Traditional Name: 2-[[4-(2-cyanophenyl)benzyl]amino]-3-[(methylthio)carbamoylamino]benzoic acid methyl ester Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CC=C1)NC(=O)NSC)NCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

COC(=O)C1=C(C(=CC=C1)NC(=O)NSC)NCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C24H22N4O3S/c1-31-23(29)20-8-5-9-21(27-24(30)28-32-2)22(20)26-15-16-10-12-17(13-11-16)19-7-4-3-6-18(19)14-25/h3-13,26H,15H2,1-2H3,(H2,27,28,30)