N-(2-chloranyl-6-methyl-phenyl)-2-[3-(2-methyl-4-nitro-imidazol-1-yl)propanoylamino]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[3-(2-methyl-4-nitro-imidazol-1-yl)propanoylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-[3-(2-methyl-4-nitro-imidazol-1-yl)propanoylamino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[3-(2-methyl-4-nitro-1-imidazolyl)-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[3-(2-methyl-4-nitroimidazol-1-yl)propanoylamino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-[3-(2-methyl-4-nitro-imidazol-1-yl)propanoylamino]-1,3-benzothiazole-6-carboxamide Formula: C22H19ClN6O4S MolecularWeight: 498.94206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCN4C=C(N=C4C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCN4C=C(N=C4C)[N+](=O)[O-]

InChI

InChI=1S/C22H19ClN6O4S/c1-12-4-3-5-15(23)20(12)27-21(31)14-6-7-16-17(10-14)34-22(25-16)26-19(30)8-9-28-11-18(29(32)33)24-13(28)2/h3-7,10-11H,8-9H2,1-2H3,(H,27,31)(H,25,26,30)