3-phenylpropyl 4-[(3-methylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[(3-methylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-(m-tolylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-[[(3-methylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[(3-methylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-(m-tolylthiocarbamoylamino)butyric acid 3-phenylpropyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O3S/c1-16-7-5-11-18(15-16)22-21(27)23-19(24)12-13-20(25)26-14-6-10-17-8-3-2-4-9-17/h2-5,7-9,11,15H,6,10,12-14H2,1H3,(H2,22,23,24,27)