methyl 4-(1-phenylpropylcarbamothioylcarbamoyl)benzoate

Systemtic Name: methyl 4-(1-phenylpropylcarbamothioylcarbamoyl)benzoate Openeye Name: methyl 4-(1-phenylpropylcarbamothioylcarbamoyl)benzoate CAS Name: 4-[oxo-[[(1-phenylpropylamino)-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-(1-phenylpropylcarbamothioylcarbamoyl)benzoate Traditional Name: 4-(1-phenylpropylthiocarbamoylcarbamoyl)benzoic acid methyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCC(C1=CC=CC=C1)NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C19H20N2O3S/c1-3-16(13-7-5-4-6-8-13)20-19(25)21-17(22)14-9-11-15(12-10-14)18(23)24-2/h4-12,16H,3H2,1-2H3,(H2,20,21,22,25)