(6S)-6-tert-butyl-N-(phenylmethyl)-2-(thiophen-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Systemtic Name: (6S)-6-tert-butyl-N-(phenylmethyl)-2-(thiophen-2-ylcarbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Openeye Name: (6S)-N-benzyl-6-tert-butyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide CAS Name: (6S)-6-tert-butyl-2-[[oxo(thiophen-2-yl)methyl]amino]-N-(phenylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide IUPAC Name: (6S)-N-benzyl-6-tert-butyl-2-(thiophene-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Traditional Name: (6S)-N-benzyl-6-tert-butyl-2-(2-thenoylamino)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide Formula: C25H28N2O2S2 MolecularWeight: 452.63202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CC=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

CC(C)(C)[C@H]1CCC2=C(C1)SC(=C2C(=O)NCC3=CC=CC=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C25H28N2O2S2/c1-25(2,3)17-11-12-18-20(14-17)31-24(27-22(28)19-10-7-13-30-19)21(18)23(29)26-15-16-8-5-4-6-9-16/h4-10,13,17H,11-12,14-15H2,1-3H3,(H,26,29)(H,27,28)/t17-/m0/s1