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

Systemtic Name: methyl 4-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C15H19N3O4S2 MolecularWeight: 369.45906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O4S2/c1-22-11(20)7-6-10(19)17-15(23)18-14-12(13(16)21)8-4-2-3-5-9(8)24-14/h2-7H2,1H3,(H2,16,21)(H2,17,18,19,23)