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

Systemtic Name: 6-tert-butyl-2-[(4-methylphenyl)carbonylamino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: N-benzyl-6-tert-butyl-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: 6-tert-butyl-2-[[(4-methylphenyl)-oxomethyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: N-benzyl-6-tert-butyl-2-[(4-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: N-benzyl-6-tert-butyl-2-(p-toluoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C28H32N2O2S MolecularWeight: 460.63088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H32N2O2S/c1-18-10-12-20(13-11-18)25(31)30-27-24(26(32)29-17-19-8-6-5-7-9-19)22-15-14-21(28(2,3)4)16-23(22)33-27/h5-13,21H,14-17H2,1-4H3,(H,29,32)(H,30,31)