ethyl 4-(3-phenylpropylcarbamothioylamino)benzoate

Systemtic Name: ethyl 4-(3-phenylpropylcarbamothioylamino)benzoate Openeye Name: ethyl 4-(3-phenylpropylcarbamothioylamino)benzoate CAS Name: 4-[[(3-phenylpropylamino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(3-phenylpropylcarbamothioylamino)benzoate Traditional Name: 4-(3-phenylpropylthiocarbamoylamino)benzoic acid ethyl ester Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCCC2=CC=CC=C2

InChI

InChI=1S/C19H22N2O2S/c1-2-23-18(22)16-10-12-17(13-11-16)21-19(24)20-14-6-9-15-7-4-3-5-8-15/h3-5,7-8,10-13H,2,6,9,14H2,1H3,(H2,20,21,24)