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

Systemtic Name: N1,N3-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzene-1,3-dicarboxamide CAS Name: N1,N3-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide Traditional Name: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)isophthalamide Formula: C28H26N4O2S2 MolecularWeight: 514.66164

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H26N4O2S2/c1-15-6-8-19-21(13-29)27(35-23(19)10-15)31-25(33)17-4-3-5-18(12-17)26(34)32-28-22(14-30)20-9-7-16(2)11-24(20)36-28/h3-5,12,15-16H,6-11H2,1-2H3,(H,31,33)(H,32,34)