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

Systemtic Name: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)nonanediamide Openeye Name: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)nonanediamide CAS Name: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)nonanediamide IUPAC Name: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)nonanediamide Traditional Name: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)azelaamide Formula: C29H36N4O2S2 MolecularWeight: 536.75174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N4O2S2/c1-18-10-12-20-22(16-30)28(36-24(20)14-18)32-26(34)8-6-4-3-5-7-9-27(35)33-29-23(17-31)21-13-11-19(2)15-25(21)37-29/h18-19H,3-15H2,1-2H3,(H,32,34)(H,33,35)