N1,N4-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)terephthalamide CAS Name: N1,N4-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide Traditional Name: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)terephthalamide Formula: C28H26N4O2S2 MolecularWeight: 514.66164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C#N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC=C(C=C3)C(=O)NC4=C(C5=C(S4)CC(CC5)C)C#N

InChI

InChI=1S/C28H26N4O2S2/c1-15-3-9-19-21(13-29)27(35-23(19)11-15)31-25(33)17-5-7-18(8-6-17)26(34)32-28-22(14-30)20-10-4-16(2)12-24(20)36-28/h5-8,15-16H,3-4,9-12H2,1-2H3,(H,31,33)(H,32,34)