N1,N4-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-nitro-benzene-1,4-dicarboxamide

Systemtic Name: N1,N4-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-nitro-benzene-1,4-dicarboxamide Openeye Name: N1,N4-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-nitro-terephthalamide CAS Name: N1,N4-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-nitrobenzene-1,4-dicarboxamide IUPAC Name: 1-N,4-N-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-nitrobenzene-1,4-dicarboxamide Traditional Name: N,N'-bis(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-nitro-terephthalamide Formula: C28H25N5O4S2 MolecularWeight: 559.6592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N5O4S2/c29-14-20-17-7-3-1-5-9-23(17)38-27(20)31-25(34)16-11-12-19(22(13-16)33(36)37)26(35)32-28-21(15-30)18-8-4-2-6-10-24(18)39-28/h11-13H,1-10H2,(H,31,34)(H,32,35)