(4-methylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]methanone

Systemtic Name: (4-methylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-phenyl]methanone Openeye Name: (4-methylpiperazin-1-yl)-[4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-phenyl]methanone CAS Name: (4-methyl-1-piperazinyl)-[4-[(4-methyl-2-thiazolyl)thio]-3-nitrophenyl]methanone IUPAC Name: (4-methylpiperazin-1-yl)-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrophenyl]methanone Traditional Name: (4-methylpiperazino)-[4-[(4-methylthiazol-2-yl)thio]-3-nitro-phenyl]methanone Formula: C16H18N4O3S2 MolecularWeight: 378.46912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)N3CCN(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O3S2/c1-11-10-24-16(17-11)25-14-4-3-12(9-13(14)20(22)23)15(21)19-7-5-18(2)6-8-19/h3-4,9-10H,5-8H2,1-2H3