N-methyl-2-(3-phenylsulfanylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: N-methyl-2-(3-phenylsulfanylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: N-methyl-2-(3-phenylsulfanylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: N-methyl-2-[[1-oxo-3-(phenylthio)propyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: N-methyl-2-(3-phenylsulfanylpropanoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: N-methyl-2-[3-(phenylthio)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Formula: C20H24N2O2S2 MolecularWeight: 388.54676

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CNC(=O)C1=C(SC2=C1CCCCC2)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2S2/c1-21-19(24)18-15-10-6-3-7-11-16(15)26-20(18)22-17(23)12-13-25-14-8-4-2-5-9-14/h2,4-5,8-9H,3,6-7,10-13H2,1H3,(H,21,24)(H,22,23)