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

Systemtic Name: 4-(azepan-1-yl)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-nitro-benzamide Openeye Name: 4-(azepan-1-yl)-N-[4-methyl-5-(1-methylimidazol-2-yl)thiazol-2-yl]-3-nitro-benzamide CAS Name: 4-(1-azepanyl)-N-[4-methyl-5-(1-methyl-2-imidazolyl)-2-thiazolyl]-3-nitrobenzamide IUPAC Name: 4-(azepan-1-yl)-N-[4-methyl-5-(1-methylimidazol-2-yl)-1,3-thiazol-2-yl]-3-nitrobenzamide Traditional Name: 4-(azepan-1-yl)-N-[4-methyl-5-(1-methylimidazol-2-yl)thiazol-2-yl]-3-nitro-benzamide Formula: C21H24N6O3S MolecularWeight: 440.51866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C4=NC=CN4C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])C4=NC=CN4C

InChI

InChI=1S/C21H24N6O3S/c1-14-18(19-22-9-12-25(19)2)31-21(23-14)24-20(28)15-7-8-16(17(13-15)27(29)30)26-10-5-3-4-6-11-26/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,23,24,28)