N1,N3-bis(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)benzene-1,3-dicarboxamide CAS Name: N1,N3-bis(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide Traditional Name: N,N'-bis(3-cyano-6-ethyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)isophthalamide Formula: C30H30N4O2S2 MolecularWeight: 542.7148

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=CC=C3)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C#N

Isomeric SMILES

CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=CC=C3)C(=O)NC4=C(C5=C(S4)CC(CC5)CC)C#N

InChI

InChI=1S/C30H30N4O2S2/c1-3-17-8-10-21-23(15-31)29(37-25(21)12-17)33-27(35)19-6-5-7-20(14-19)28(36)34-30-24(16-32)22-11-9-18(4-2)13-26(22)38-30/h5-7,14,17-18H,3-4,8-13H2,1-2H3,(H,33,35)(H,34,36)