N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexanediamide

Systemtic Name: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexanediamide Openeye Name: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)hexanediamide CAS Name: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexanediamide IUPAC Name: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexanediamide Traditional Name: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)adipamide Formula: C26H30N4O2S2 MolecularWeight: 494.672

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCCC(=O)NC3=C(C4=C(S3)CC(CC4)C)C#N

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCCC(=O)NC3=C(C4=C(S3)CC(CC4)C)C#N

InChI

InChI=1S/C26H30N4O2S2/c1-15-7-9-17-19(13-27)25(33-21(17)11-15)29-23(31)5-3-4-6-24(32)30-26-20(14-28)18-10-8-16(2)12-22(18)34-26/h15-16H,3-12H2,1-2H3,(H,29,31)(H,30,32)