4-(azepan-1-yl)-N-[2-(4-bromophenyl)sulfanylethyl]-3-nitro-benzamide

Systemtic Name: 4-(azepan-1-yl)-N-[2-(4-bromophenyl)sulfanylethyl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[2-(4-bromophenyl)sulfanylethyl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[2-[(4-bromophenyl)thio]ethyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[2-(4-bromophenyl)sulfanylethyl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[2-[(4-bromophenyl)thio]ethyl]-3-nitro-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCSC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NCCSC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H24BrN3O3S/c22-17-6-8-18(9-7-17)29-14-11-23-21(26)16-5-10-19(20(15-16)25(27)28)24-12-3-1-2-4-13-24/h5-10,15H,1-4,11-14H2,(H,23,26)