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

Systemtic Name: N-[2-(azepan-1-yl)-5-chloranyl-phenyl]-3-nitro-4-phenylsulfanyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-5-chloro-phenyl]-3-nitro-4-phenylsulfanyl-benzamide CAS Name: N-[2-(1-azepanyl)-5-chlorophenyl]-3-nitro-4-(phenylthio)benzamide IUPAC Name: N-[2-(azepan-1-yl)-5-chlorophenyl]-3-nitro-4-phenylsulfanylbenzamide Traditional Name: N-[2-(azepan-1-yl)-5-chloro-phenyl]-3-nitro-4-(phenylthio)benzamide Formula: C25H24ClN3O3S MolecularWeight: 481.99436

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)C3=CC(=C(C=C3)SC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24ClN3O3S/c26-19-11-12-22(28-14-6-1-2-7-15-28)21(17-19)27-25(30)18-10-13-24(23(16-18)29(31)32)33-20-8-4-3-5-9-20/h3-5,8-13,16-17H,1-2,6-7,14-15H2,(H,27,30)