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

Systemtic Name: 4-(dimethylamino)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-(dimethylamino)-N-[4-methyl-5-(1-methylimidazol-2-yl)thiazol-2-yl]-3-nitro-benzamide CAS Name: 4-(dimethylamino)-N-[4-methyl-5-(1-methyl-2-imidazolyl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-(dimethylamino)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-(dimethylamino)-N-[4-methyl-5-(1-methylimidazol-2-yl)thiazol-2-yl]-3-nitro-benzamide Formula: C17H18N6O3S MolecularWeight: 386.42822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])C3=NC=CN3C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])C3=NC=CN3C

InChI

InChI=1S/C17H18N6O3S/c1-10-14(15-18-7-8-22(15)4)27-17(19-10)20-16(24)11-5-6-12(21(2)3)13(9-11)23(25)26/h5-9H,1-4H3,(H,19,20,24)