N1,N3-bis(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzene-1,3-dicarboxamide CAS Name: N1,N3-bis(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide Traditional Name: N,N'-bis(6-tert-butyl-3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)isophthalamide Formula: C34H38N4O2S2 MolecularWeight: 598.82112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=CC=C3)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C#N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=CC=C3)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C#N

InChI

InChI=1S/C34H38N4O2S2/c1-33(2,3)21-10-12-23-25(17-35)31(41-27(23)15-21)37-29(39)19-8-7-9-20(14-19)30(40)38-32-26(18-36)24-13-11-22(34(4,5)6)16-28(24)42-32/h7-9,14,21-22H,10-13,15-16H2,1-6H3,(H,37,39)(H,38,40)