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

Systemtic Name: 6-tert-butyl-N-(4-chlorophenyl)-2-[(3-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: 6-tert-butyl-N-(4-chlorophenyl)-2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-N-(4-chlorophenyl)-2-[[(3-methylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: 6-tert-butyl-N-(4-chlorophenyl)-2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: 6-tert-butyl-N-(4-chlorophenyl)-2-(m-toluoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C27H29ClN2O2S MolecularWeight: 481.04936

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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)NC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H29ClN2O2S/c1-16-6-5-7-17(14-16)24(31)30-26-23(25(32)29-20-11-9-19(28)10-12-20)21-13-8-18(27(2,3)4)15-22(21)33-26/h5-7,9-12,14,18H,8,13,15H2,1-4H3,(H,29,32)(H,30,31)