2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-chloranyl-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-chloranyl-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide Openeye Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-chloro-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[3-(1,3-benzodioxol-5-yl)-1-oxopropyl]amino]-N-(2-chloro-6-methylphenyl)-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-chloro-6-methylphenyl)-1,3-benzothiazole-6-carboxamide Traditional Name: 2-[3-(1,3-benzodioxol-5-yl)propanoylamino]-N-(2-chloro-6-methyl-phenyl)-1,3-benzothiazole-6-carboxamide Formula: C25H20ClN3O4S MolecularWeight: 493.962

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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=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H20ClN3O4S/c1-14-3-2-4-17(26)23(14)29-24(31)16-7-8-18-21(12-16)34-25(27-18)28-22(30)10-6-15-5-9-19-20(11-15)33-13-32-19/h2-5,7-9,11-12H,6,10,13H2,1H3,(H,29,31)(H,27,28,30)