ethyl 4-(1,2-diphenylethylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(1,2-diphenylethylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(1,2-diphenylethylcarbamothioylamino)benzoate CAS Name: 4-[[(1,2-diphenylethylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(1,2-diphenylethylcarbamothioylamino)benzoate Traditional Name: 4-(1,2-diphenylethylthiocarbamoylamino)benzoic acid ethyl ester Formula: C24H24N2O2S MolecularWeight: 404.52456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(CC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(CC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H24N2O2S/c1-2-28-23(27)20-13-15-21(16-14-20)25-24(29)26-22(19-11-7-4-8-12-19)17-18-9-5-3-6-10-18/h3-16,22H,2,17H2,1H3,(H2,25,26,29)