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

Systemtic Name: N,N'-bis(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide Openeye Name: N,N'-bis(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)pentanediamide CAS Name: N,N'-bis(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide IUPAC Name: N,N'-bis(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pentanediamide Traditional Name: N,N'-bis(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)glutaramide Formula: C27H32N4O2S2 MolecularWeight: 508.69858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCC(=O)NC3=C(C4=C(S3)CC(CC4)CC)C#N

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)CCCC(=O)NC3=C(C4=C(S3)CC(CC4)CC)C#N

InChI

InChI=1S/C27H32N4O2S2/c1-3-16-8-10-18-20(14-28)26(34-22(18)12-16)30-24(32)6-5-7-25(33)31-27-21(15-29)19-11-9-17(4-2)13-23(19)35-27/h16-17H,3-13H2,1-2H3,(H,30,32)(H,31,33)