4-(4-ethanoylpiperazin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-benzamide

Systemtic Name: 4-(4-ethanoylpiperazin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-benzamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitro-benzamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-methyl-N-[[4-(methylthio)phenyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-3-nitrobenzamide Traditional Name: 4-(4-acetylpiperazino)-N-methyl-N-[4-(methylthio)benzyl]-3-nitro-benzamide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)N(C)CC3=CC=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O4S/c1-16(27)24-10-12-25(13-11-24)20-9-6-18(14-21(20)26(29)30)22(28)23(2)15-17-4-7-19(31-3)8-5-17/h4-9,14H,10-13,15H2,1-3H3