N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-[4-methyl-5-(1-methylimidazol-2-yl)thiazol-2-yl]-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-[4-methyl-5-(1-methyl-2-imidazolyl)-2-thiazolyl]-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-[4-methyl-5-(1-methylimidazol-2-yl)thiazol-2-yl]-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C20H23N7O3S MolecularWeight: 441.50672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-])C4=NC=CN4C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-])C4=NC=CN4C

InChI

InChI=1S/C20H23N7O3S/c1-13-17(18-21-6-7-25(18)3)31-20(22-13)23-19(28)14-4-5-15(16(12-14)27(29)30)26-10-8-24(2)9-11-26/h4-7,12H,8-11H2,1-3H3,(H,22,23,28)