4,5-dimethyl-2-[4-(phenylmethyl)sulfonylbutanoylamino]thiophene-3-carboxamide

Systemtic Name: 4,5-dimethyl-2-[4-(phenylmethyl)sulfonylbutanoylamino]thiophene-3-carboxamide Openeye Name: 2-(4-benzylsulfonylbutanoylamino)-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 4,5-dimethyl-2-[[1-oxo-4-(phenylmethyl)sulfonylbutyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-(4-benzylsulfonylbutanoylamino)-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-(4-benzylsulfonylbutanoylamino)-4,5-dimethyl-thiophene-3-carboxamide Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=O)CCCS(=O)(=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C18H22N2O4S2/c1-12-13(2)25-18(16(12)17(19)22)20-15(21)9-6-10-26(23,24)11-14-7-4-3-5-8-14/h3-5,7-8H,6,9-11H2,1-2H3,(H2,19,22)(H,20,21)