4,5-dimethyl-2-[4-(phenylmethylsulfanyl)butanoylamino]thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-[4-(phenylmethylsulfanyl)butanoylamino]thiophene-3-carboxamide Openeye Name: 2-(4-benzylsulfanylbutanoylamino)-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[1-oxo-4-(phenylmethylthio)butyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-(4-benzylsulfanylbutanoylamino)-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[4-(benzylthio)butanoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)CCCSCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)CCCSCC2=CC=CC=C2)C

InChI

InChI=1S/C18H22N2O2S2/c1-12-13(2)24-18(16(12)17(19)22)20-15(21)9-6-10-23-11-14-7-4-3-5-8-14/h3-5,7-8H,6,9-11H2,1-2H3,(H2,19,22)(H,20,21)