N-(2-chloranyl-6-methyl-phenyl)-2-(2-methylpropanoylamino)-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-(2-methylpropanoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-(2-methylpropanoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[(2-methyl-1-oxopropyl)amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-(2-methylpropanoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-(isobutyrylamino)-1,3-benzothiazole-6-carboxamide Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O2S/c1-10(2)17(24)23-19-21-14-8-7-12(9-15(14)26-19)18(25)22-16-11(3)5-4-6-13(16)20/h4-10H,1-3H3,(H,22,25)(H,21,23,24)