2-[3-(4-methylphenyl)sulfanylpropanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

Systemtic Name: 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Openeye Name: 2-[3-(p-tolylsulfanyl)propanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide CAS Name: 2-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide IUPAC Name: 2-[3-(4-methylphenyl)sulfanylpropanoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide Traditional Name: 2-[3-(p-tolylthio)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:

CC1=CC=C(C=C1)SCCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N

InChI

InChI=1S/C20H24N2O2S2/c1-13-7-9-14(10-8-13)25-12-11-17(23)22-20-18(19(21)24)15-5-3-2-4-6-16(15)26-20/h7-10H,2-6,11-12H2,1H3,(H2,21,24)(H,22,23)