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

Systemtic Name: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)decanediamide Openeye Name: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)decanediamide CAS Name: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)decanediamide IUPAC Name: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)decanediamide Traditional Name: N,N'-bis(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)sebacamide Formula: C30H38N4O2S2 MolecularWeight: 550.77832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N4O2S2/c1-19-11-13-21-23(17-31)29(37-25(21)15-19)33-27(35)9-7-5-3-4-6-8-10-28(36)34-30-24(18-32)22-14-12-20(2)16-26(22)38-30/h19-20H,3-16H2,1-2H3,(H,33,35)(H,34,36)