N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-phenylmethoxy-benzamide

Systemtic Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzamide CAS Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-phenylmethoxybenzamide IUPAC Name: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzamide Formula: C27H28N2O2S MolecularWeight: 444.58842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H28N2O2S/c1-27(2,3)20-11-14-22-23(16-28)26(32-24(22)15-20)29-25(30)19-9-12-21(13-10-19)31-17-18-7-5-4-6-8-18/h4-10,12-13,20H,11,14-15,17H2,1-3H3,(H,29,30)