methyl N-[2-[4-(phenylmethylsulfanyl)butanoylamino]thiophen-3-yl]carbonylcarbamate

Systemtic Name: methyl N-[2-[4-(phenylmethylsulfanyl)butanoylamino]thiophen-3-yl]carbonylcarbamate Openeye Name: methyl N-[2-(4-benzylsulfanylbutanoylamino)thiophene-3-carbonyl]carbamate CAS Name: N-[oxo-[2-[[1-oxo-4-(phenylmethylthio)butyl]amino]-3-thiophenyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[2-(4-benzylsulfanylbutanoylamino)thiophene-3-carbonyl]carbamate Traditional Name: N-[2-[4-(benzylthio)butanoylamino]thiophene-3-carbonyl]carbamic acid methyl ester Formula: C18H20N2O4S2 MolecularWeight: 392.4924

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=O)C1=C(SC=C1)NC(=O)CCCSCC2=CC=CC=C2

Isomeric SMILES

COC(=O)NC(=O)C1=C(SC=C1)NC(=O)CCCSCC2=CC=CC=C2

InChI

InChI=1S/C18H20N2O4S2/c1-24-18(23)20-16(22)14-9-11-26-17(14)19-15(21)8-5-10-25-12-13-6-3-2-4-7-13/h2-4,6-7,9,11H,5,8,10,12H2,1H3,(H,19,21)(H,20,22,23)