6-methyl-2-(3-phenylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 6-methyl-2-(3-phenylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-methyl-2-(3-phenylsulfanylpropanoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-methyl-2-[[1-oxo-3-(phenylthio)propyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-methyl-2-(3-phenylsulfanylpropanoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-methyl-2-[3-(phenylthio)propanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H22N2O2S2 MolecularWeight: 374.52018

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCSC3=CC=CC=C3

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)CCSC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O2S2/c1-12-7-8-14-15(11-12)25-19(17(14)18(20)23)21-16(22)9-10-24-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3,(H2,20,23)(H,21,22)