ethyl 4-[(phenylmethyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(phenylmethyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-(benzylcarbamothioylamino)benzoate CAS Name: 4-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(benzylcarbamothioylamino)benzoate Traditional Name: 4-(benzylthiocarbamoylamino)benzoic acid ethyl ester Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O2S/c1-2-21-16(20)14-8-10-15(11-9-14)19-17(22)18-12-13-6-4-3-5-7-13/h3-11H,2,12H2,1H3,(H2,18,19,22)