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

Systemtic Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-(ethylsulfanylcarbamoylamino)benzoate Openeye Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-(ethylsulfanylcarbamoylamino)benzoate CAS Name: 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-[[[(ethylthio)amino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-cyanophenyl)phenyl]methylamino]-3-(ethylsulfanylcarbamoylamino)benzoate Traditional Name: 2-[[4-(2-cyanophenyl)benzyl]amino]-3-[(ethylthio)carbamoylamino]benzoic acid ethyl ester Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CC=C1)NC(=O)NSCC)NCC2=CC=C(C=C2)C3=CC=CC=C3C#N

Isomeric SMILES

CCOC(=O)C1=C(C(=CC=C1)NC(=O)NSCC)NCC2=CC=C(C=C2)C3=CC=CC=C3C#N

InChI

InChI=1S/C26H26N4O3S/c1-3-33-25(31)22-10-7-11-23(29-26(32)30-34-4-2)24(22)28-17-18-12-14-19(15-13-18)21-9-6-5-8-20(21)16-27/h5-15,28H,3-4,17H2,1-2H3,(H2,29,30,32)