ethyl 4-[(3-cyanophenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(3-cyanophenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(3-cyanophenyl)carbamothioylamino]benzoate CAS Name: 4-[[(3-cyanoanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(3-cyanophenyl)carbamothioylamino]benzoate Traditional Name: 4-[(3-cyanophenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C17H15N3O2S/c1-2-22-16(21)13-6-8-14(9-7-13)19-17(23)20-15-5-3-4-12(10-15)11-18/h3-10H,2H2,1H3,(H2,19,20,23)