2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(4-methoxy-3-nitrophenyl)methylthio]-N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(4-methoxy-3-nitro-benzyl)thio]-N-[2-methyl-4-(4-methylpiperazino)phenyl]acetamide Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4S/c1-16-12-18(25-10-8-24(2)9-11-25)5-6-19(16)23-22(27)15-31-14-17-4-7-21(30-3)20(13-17)26(28)29/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,23,27)