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

Systemtic Name: N,N'-bis(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexanediamide Openeye Name: N,N'-bis(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)hexanediamide CAS Name: N,N'-bis(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexanediamide IUPAC Name: N,N'-bis(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)hexanediamide Traditional Name: N,N'-bis(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)adipamide Formula: C28H34N4O2S2 MolecularWeight: 522.72516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N4O2S2/c1-3-17-9-11-19-21(15-29)27(35-23(19)13-17)31-25(33)7-5-6-8-26(34)32-28-22(16-30)20-12-10-18(4-2)14-24(20)36-28/h17-18H,3-14H2,1-2H3,(H,31,33)(H,32,34)