4-[2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[4-[(4-methyl-1-piperidyl)methyl]anilino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[4-[(4-methyl-1-piperidinyl)methyl]anilino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[4-[(4-methylpiperidin-1-yl)methyl]anilino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[4-[(4-methylpiperidino)methyl]anilino]ethyl]thio]-3-nitro-benzamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)CC2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)CC2=CC=C(C=C2)NC(=O)CSC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4S/c1-15-8-10-25(11-9-15)13-16-2-5-18(6-3-16)24-21(27)14-31-20-7-4-17(22(23)28)12-19(20)26(29)30/h2-7,12,15H,8-11,13-14H2,1H3,(H2,23,28)(H,24,27)