2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chloranyl-phenyl]-5-nitro-benzamide

Systemtic Name: 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chloranyl-phenyl]-5-nitro-benzamide Openeye Name: 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chloro-phenyl]-5-nitro-benzamide CAS Name: 2-(1-azepanyl)-N-[4-(1,3-benzothiazol-2-ylthio)-3-chlorophenyl]-5-nitrobenzamide IUPAC Name: 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylsulfanyl)-3-chlorophenyl]-5-nitrobenzamide Traditional Name: 2-(azepan-1-yl)-N-[4-(1,3-benzothiazol-2-ylthio)-3-chloro-phenyl]-5-nitro-benzamide Formula: C26H23ClN4O3S2 MolecularWeight: 539.06882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)SC4=NC5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)SC4=NC5=CC=CC=C5S4)Cl

InChI

InChI=1S/C26H23ClN4O3S2/c27-20-15-17(9-12-23(20)35-26-29-21-7-3-4-8-24(21)36-26)28-25(32)19-16-18(31(33)34)10-11-22(19)30-13-5-1-2-6-14-30/h3-4,7-12,15-16H,1-2,5-6,13-14H2,(H,28,32)