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

Systemtic Name: ethyl 2-[(3-cyano-4-phenyl-phenyl)methylamino]-3-(propylsulfanylcarbamoylamino)benzoate Openeye Name: ethyl 2-[(3-cyano-4-phenyl-phenyl)methylamino]-3-(propylsulfanylcarbamoylamino)benzoate CAS Name: 2-[(3-cyano-4-phenylphenyl)methylamino]-3-[[oxo-[(propylthio)amino]methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(3-cyano-4-phenylphenyl)methylamino]-3-(propylsulfanylcarbamoylamino)benzoate Traditional Name: 2-[(3-cyano-4-phenyl-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=C3)C#N)C(=O)OCC

Isomeric SMILES

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

InChI

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