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

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-(3-phenylpropanoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-(3-phenylpropanoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[(1-oxo-3-phenylpropyl)amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-(3-phenylpropanoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-(hydrocinnamoylamino)-1,3-benzothiazole-6-carboxamide Formula: C24H20ClN3O2S MolecularWeight: 449.9525

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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

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClN3O2S/c1-15-6-5-9-18(25)22(15)28-23(30)17-11-12-19-20(14-17)31-24(26-19)27-21(29)13-10-16-7-3-2-4-8-16/h2-9,11-12,14H,10,13H2,1H3,(H,28,30)(H,26,27,29)