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

Systemtic Name: N-(2-methoxyphenyl)-3-nitro-4-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-benzamide Openeye Name: N-(2-methoxyphenyl)-3-nitro-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-benzamide CAS Name: N-(2-methoxyphenyl)-3-nitro-4-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]benzamide IUPAC Name: N-(2-methoxyphenyl)-3-nitro-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-N-(2-methoxyphenyl)-3-nitro-benzamide Formula: C26H26N4O5S MolecularWeight: 506.57344

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)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C26H26N4O5S/c1-35-23-10-6-5-9-21(23)27-26(32)19-11-12-24(22(17-19)30(33)34)36-18-25(31)29-15-13-28(14-16-29)20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3,(H,27,32)