2-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[2-[(2-methylphenyl)methylsulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[[2-(o-tolylmethylsulfanyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[2-[(2-methylphenyl)methylthio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-[[2-[(2-methylbenzyl)thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C19H22N2O2S2 MolecularWeight: 374.52018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

Isomeric SMILES

CC1=CC=CC=C1CSCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)N

InChI

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