propyl 4-[(3,5-dimethylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[(3,5-dimethylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(3,5-dimethylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3,5-dimethylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(3,5-dimethylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3,5-dimethylphenyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S/c1-4-7-21-15(20)6-5-14(19)18-16(22)17-13-9-11(2)8-12(3)10-13/h8-10H,4-7H2,1-3H3,(H2,17,18,19,22)