N-(2-chloranyl-6-methyl-phenyl)-2-[3-(3-methoxyphenyl)propanoylamino]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[3-(3-methoxyphenyl)propanoylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-[3-(3-methoxyphenyl)propanoylamino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[3-(3-methoxyphenyl)-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[3-(3-methoxyphenyl)propanoylamino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-[3-(3-methoxyphenyl)propanoylamino]-1,3-benzothiazole-6-carboxamide Formula: C25H22ClN3O3S MolecularWeight: 479.97848

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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)CCC4=CC(=CC=C4)OC

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCC4=CC(=CC=C4)OC

InChI

InChI=1S/C25H22ClN3O3S/c1-15-5-3-8-19(26)23(15)29-24(31)17-10-11-20-21(14-17)33-25(27-20)28-22(30)12-9-16-6-4-7-18(13-16)32-2/h3-8,10-11,13-14H,9,12H2,1-2H3,(H,29,31)(H,27,28,30)