N-(2-methoxyphenyl)-3-nitro-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-benzamide

Systemtic Name: N-(2-methoxyphenyl)-3-nitro-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethyl]sulfanyl-benzamide Openeye Name: 4-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitro-benzamide CAS Name: N-(2-methoxyphenyl)-3-nitro-4-[[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]thio]benzamide IUPAC Name: 4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]sulfanyl-N-(2-methoxyphenyl)-3-nitrobenzamide Traditional Name: 4-[[2-(4-benzylpiperazino)-2-keto-ethyl]thio]-N-(2-methoxyphenyl)-3-nitro-benzamide Formula: C27H28N4O5S MolecularWeight: 520.60002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC(=O)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)SCC(=O)N3CCN(CC3)CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O5S/c1-36-24-10-6-5-9-22(24)28-27(33)21-11-12-25(23(17-21)31(34)35)37-19-26(32)30-15-13-29(14-16-30)18-20-7-3-2-4-8-20/h2-12,17H,13-16,18-19H2,1H3,(H,28,33)