N-(1-benzothiophen-2-ylmethyl)-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide

Systemtic Name: N-(1-benzothiophen-2-ylmethyl)-5-nitro-2-[(4-oxidanylcyclohexyl)amino]benzamide Openeye Name: N-(benzothiophen-2-ylmethyl)-2-[(4-hydroxycyclohexyl)amino]-5-nitro-benzamide CAS Name: N-(1-benzothiophen-2-ylmethyl)-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide IUPAC Name: N-(1-benzothiophen-2-ylmethyl)-2-[(4-hydroxycyclohexyl)amino]-5-nitrobenzamide Traditional Name: N-(benzothiophen-2-ylmethyl)-2-[(4-hydroxycyclohexyl)amino]-5-nitro-benzamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=CC=CC=C4S3)O

Isomeric SMILES

C1CC(CCC1NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC4=CC=CC=C4S3)O

InChI

InChI=1S/C22H23N3O4S/c26-17-8-5-15(6-9-17)24-20-10-7-16(25(28)29)12-19(20)22(27)23-13-18-11-14-3-1-2-4-21(14)30-18/h1-4,7,10-12,15,17,24,26H,5-6,8-9,13H2,(H,23,27)