methyl N-[4,5-dimethyl-2-(4-phenylsulfanylbutanoylamino)thiophen-3-yl]carbonylcarbamate

Systemtic Name: methyl N-[4,5-dimethyl-2-(4-phenylsulfanylbutanoylamino)thiophen-3-yl]carbonylcarbamate Openeye Name: methyl N-[4,5-dimethyl-2-(4-phenylsulfanylbutanoylamino)thiophene-3-carbonyl]carbamate CAS Name: N-[[4,5-dimethyl-2-[[1-oxo-4-(phenylthio)butyl]amino]-3-thiophenyl]-oxomethyl]carbamic acid methyl ester IUPAC Name: methyl N-[4,5-dimethyl-2-(4-phenylsulfanylbutanoylamino)thiophene-3-carbonyl]carbamate Traditional Name: N-[4,5-dimethyl-2-[4-(phenylthio)butanoylamino]thiophene-3-carbonyl]carbamic acid methyl ester Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)NC(=O)OC)NC(=O)CCCSC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)NC(=O)OC)NC(=O)CCCSC2=CC=CC=C2)C

InChI

InChI=1S/C19H22N2O4S2/c1-12-13(2)27-18(16(12)17(23)21-19(24)25-3)20-15(22)10-7-11-26-14-8-5-4-6-9-14/h4-6,8-9H,7,10-11H2,1-3H3,(H,20,22)(H,21,23,24)