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

Systemtic Name: propyl 4-[(3-methylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-(m-tolylcarbamothioylamino)-4-oxo-butanoate CAS Name: 4-[[(3-methylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(3-methylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-(m-tolylthiocarbamoylamino)butyric acid propyl ester Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=CC=CC(=C1)C

InChI

InChI=1S/C15H20N2O3S/c1-3-9-20-14(19)8-7-13(18)17-15(21)16-12-6-4-5-11(2)10-12/h4-6,10H,3,7-9H2,1-2H3,(H2,16,17,18,21)