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

Systemtic Name: (5S)-5-methyl-2-[(3-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (5S)-5-methyl-2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (5S)-5-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (5S)-5-methyl-2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (5S)-5-methyl-2-(m-toluoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)C)C(=O)N

Isomeric SMILES

C[C@H]1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=CC=C3)C)C(=O)N

InChI

InChI=1S/C18H20N2O2S/c1-10-4-3-5-12(8-10)17(22)20-18-15(16(19)21)13-9-11(2)6-7-14(13)23-18/h3-5,8,11H,6-7,9H2,1-2H3,(H2,19,21)(H,20,22)/t11-/m0/s1