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

Systemtic Name: (6S)-N,6-ditert-butyl-2-[(3-methylphenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-N,6-ditert-butyl-2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-N,6-ditert-butyl-2-[[(3-methylphenyl)-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-N,6-ditert-butyl-2-[(3-methylbenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-N,6-ditert-butyl-2-(m-toluoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H34N2O2S MolecularWeight: 426.61466

Click to see the large picture

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)NC(C)(C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=C(C3=C(S2)C[C@H](CC3)C(C)(C)C)C(=O)NC(C)(C)C

InChI

InChI=1S/C25H34N2O2S/c1-15-9-8-10-16(13-15)21(28)26-23-20(22(29)27-25(5,6)7)18-12-11-17(24(2,3)4)14-19(18)30-23/h8-10,13,17H,11-12,14H2,1-7H3,(H,26,28)(H,27,29)/t17-/m0/s1