4-(4-bromophenyl)sulfanyl-3-nitro-N-(2-oxidanylideneazepan-3-yl)benzamide

Systemtic Name: 4-(4-bromophenyl)sulfanyl-3-nitro-N-(2-oxidanylideneazepan-3-yl)benzamide Openeye Name: 4-(4-bromophenyl)sulfanyl-3-nitro-N-(2-oxoazepan-3-yl)benzamide CAS Name: 4-[(4-bromophenyl)thio]-3-nitro-N-(2-oxo-3-azepanyl)benzamide IUPAC Name: 4-(4-bromophenyl)sulfanyl-3-nitro-N-(2-oxoazepan-3-yl)benzamide Traditional Name: 4-[(4-bromophenyl)thio]-N-(2-ketoazepan-3-yl)-3-nitro-benzamide Formula: C19H18BrN3O4S MolecularWeight: 464.33292

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCNC(=O)C(C1)NC(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H18BrN3O4S/c20-13-5-7-14(8-6-13)28-17-9-4-12(11-16(17)23(26)27)18(24)22-15-3-1-2-10-21-19(15)25/h4-9,11,15H,1-3,10H2,(H,21,25)(H,22,24)