N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethyl-N-(4-ethylphenyl)carbonyl-benzamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethyl-N-(4-ethylphenyl)carbonyl-benzamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-ethyl-N-(4-ethylbenzoyl)benzamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethyl-N-[(4-ethylphenyl)-oxomethyl]benzamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethyl-N-(4-ethylbenzoyl)benzamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-4-ethyl-N-(4-ethylbenzoyl)benzamide Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N(C2=C(C3=C(S2)CCCC3)C#N)C(=O)C4=CC=C(C=C4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N(C2=C(C3=C(S2)CCCC3)C#N)C(=O)C4=CC=C(C=C4)CC

InChI

InChI=1S/C27H26N2O2S/c1-3-18-9-13-20(14-10-18)25(30)29(26(31)21-15-11-19(4-2)12-16-21)27-23(17-28)22-7-5-6-8-24(22)32-27/h9-16H,3-8H2,1-2H3