N1,N3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)benzene-1,3-dicarboxamide

Systemtic Name: N1,N3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)benzene-1,3-dicarboxamide Openeye Name: N1,N3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)benzene-1,3-dicarboxamide CAS Name: N1,N3-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)benzene-1,3-dicarboxamide IUPAC Name: 1-N,3-N-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)benzene-1,3-dicarboxamide Traditional Name: N,N'-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)isophthalamide Formula: C28H26N4O2S2 MolecularWeight: 514.66164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=CC(=CC=C3)C(=O)NC4=C(C5=C(S4)CCCCC5)C#N

Isomeric SMILES

C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3=CC(=CC=C3)C(=O)NC4=C(C5=C(S4)CCCCC5)C#N

InChI

InChI=1S/C28H26N4O2S2/c29-15-21-19-10-3-1-5-12-23(19)35-27(21)31-25(33)17-8-7-9-18(14-17)26(34)32-28-22(16-30)20-11-4-2-6-13-24(20)36-28/h7-9,14H,1-6,10-13H2,(H,31,33)(H,32,34)