2-[(2-methylphenyl)carbonylamino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: 2-[(2-methylphenyl)carbonylamino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 2-[(2-methylbenzoyl)amino]-N-phenethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 2-[[(2-methylphenyl)-oxomethyl]amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 2-[(2-methylbenzoyl)amino]-N-phenethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 2-(o-toluoylamino)-N-phenethyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H26N2O2S MolecularWeight: 418.55114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=C(C3=C(S2)CCCC3)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O2S/c1-17-9-5-6-12-19(17)23(28)27-25-22(20-13-7-8-14-21(20)30-25)24(29)26-16-15-18-10-3-2-4-11-18/h2-6,9-12H,7-8,13-16H2,1H3,(H,26,29)(H,27,28)