1-[[6-tert-butyl-2-[(3-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: 1-[[6-tert-butyl-2-[(3-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]carbonyl]piperidine-4-carboxamide Openeye Name: 1-[6-tert-butyl-2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[6-tert-butyl-2-[[(3-methylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[6-tert-butyl-2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[6-tert-butyl-2-(m-toluoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carbonyl]isonipecotamide Formula: C27H35N3O3S MolecularWeight: 481.6501

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N4CCC(CC4)C(=O)N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)N4CCC(CC4)C(=O)N

InChI

InChI=1S/C27H35N3O3S/c1-16-6-5-7-18(14-16)24(32)29-25-22(26(33)30-12-10-17(11-13-30)23(28)31)20-9-8-19(27(2,3)4)15-21(20)34-25/h5-7,14,17,19H,8-13,15H2,1-4H3,(H2,28,31)(H,29,32)