4-(azepan-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-nitro-benzamide Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C4=C(S3)CCCC4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3S/c23-14-17-16-7-3-4-8-20(16)30-22(17)24-21(27)15-9-10-18(19(13-15)26(28)29)25-11-5-1-2-6-12-25/h9-10,13H,1-8,11-12H2,(H,24,27)