propyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C17H21N3O3S2 MolecularWeight: 379.49694

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C#N

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NC1=C(C2=C(S1)CCCC2)C#N

InChI

InChI=1S/C17H21N3O3S2/c1-2-9-23-15(22)8-7-14(21)19-17(24)20-16-12(10-18)11-5-3-4-6-13(11)25-16/h2-9H2,1H3,(H2,19,20,21,24)