propyl 4-oxidanylidene-4-[(2-propan-2-ylphenyl)carbamothioylamino]butanoate

Systemtic Name: propyl 4-oxidanylidene-4-[(2-propan-2-ylphenyl)carbamothioylamino]butanoate Openeye Name: propyl 4-[(2-isopropylphenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[(2-propan-2-ylanilino)-sulfanylidenemethyl]amino]butanoic acid propyl ester IUPAC Name: propyl 4-oxo-4-[(2-propan-2-ylphenyl)carbamothioylamino]butanoate Traditional Name: 4-keto-4-(o-cumenylthiocarbamoylamino)butyric acid propyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O3S/c1-4-11-22-16(21)10-9-15(20)19-17(23)18-14-8-6-5-7-13(14)12(2)3/h5-8,12H,4,9-11H2,1-3H3,(H2,18,19,20,23)