propyl 4-[(2,6-dimethylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[(2,6-dimethylphenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(2,6-dimethylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(2,6-dimethylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2,6-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=C(C=CC=C1C)C

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=C(C=CC=C1C)C

InChI

InChI=1S/C16H22N2O3S/c1-4-10-21-14(20)9-8-13(19)17-16(22)18-15-11(2)6-5-7-12(15)3/h5-7H,4,8-10H2,1-3H3,(H2,17,18,19,22)