ethyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-(propylsulfanylcarbamoylamino)benzoate

Systemtic Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-(propylsulfanylcarbamoylamino)benzoate Openeye Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-(propylsulfanylcarbamoylamino)benzoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-[[oxo-[(propylthio)amino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-(propylsulfanylcarbamoylamino)benzoate Traditional Name: 2-[[4-(2-cyanophenyl)benzyl]amino]-3-[(propylthio)carbamoylamino]benzoic acid ethyl ester Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CCCSNC(=O)NC1=CC=CC(=C1NCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OCC

Isomeric SMILES

CCCSNC(=O)NC1=CC=CC(=C1NCC2=CC=C(C=C2)C3=CC=CC=C3C#N)C(=O)OCC

InChI

InChI=1S/C27H28N4O3S/c1-3-16-35-31-27(33)30-24-11-7-10-23(26(32)34-4-2)25(24)29-18-19-12-14-20(15-13-19)22-9-6-5-8-21(22)17-28/h5-15,29H,3-4,16,18H2,1-2H3,(H2,30,31,33)