N-(2-chloranyl-6-methyl-phenyl)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[[2-(1H-imidazol-5-yl)ethylamino]-oxomethyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-1,3-benzothiazole-6-carboxamide Formula: C21H19ClN6O2S MolecularWeight: 454.93256

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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)NCCC4=CN=CN4

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCC4=CN=CN4

InChI

InChI=1S/C21H19ClN6O2S/c1-12-3-2-4-15(22)18(12)27-19(29)13-5-6-16-17(9-13)31-21(26-16)28-20(30)24-8-7-14-10-23-11-25-14/h2-6,9-11H,7-8H2,1H3,(H,23,25)(H,27,29)(H2,24,26,28,30)