ethyl 4-[(4-cyanophenyl)methylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(4-cyanophenyl)methylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[(4-cyanophenyl)methylcarbamothioylamino]benzoate CAS Name: 4-[[[(4-cyanophenyl)methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(4-cyanophenyl)methylcarbamothioylamino]benzoate Traditional Name: 4-[(4-cyanobenzyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H17N3O2S/c1-2-23-17(22)15-7-9-16(10-8-15)21-18(24)20-12-14-5-3-13(11-19)4-6-14/h3-10H,2,12H2,1H3,(H2,20,21,24)