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

Systemtic Name: N-(2-methoxyphenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: N-(2-methoxyphenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: N-(2-methoxyphenyl)-4-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: N-(2-methoxyphenyl)-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-(4-methylpiperazino)ethyl]thio]-N-(2-methoxyphenyl)-3-nitro-benzamide Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)CSC2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5S/c1-23-9-11-24(12-10-23)20(26)14-31-19-8-7-15(13-17(19)25(28)29)21(27)22-16-5-3-4-6-18(16)30-2/h3-8,13H,9-12,14H2,1-2H3,(H,22,27)