N-(2-chloranyl-6-methyl-phenyl)-2-[5-(dimethylamino)pentanoylamino]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[5-(dimethylamino)pentanoylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-[5-(dimethylamino)pentanoylamino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[5-(dimethylamino)-1-oxopentyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[5-(dimethylamino)pentanoylamino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-[5-(dimethylamino)pentanoylamino]-1,3-benzothiazole-6-carboxamide Formula: C22H25ClN4O2S MolecularWeight: 444.9775

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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)CCCCN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN4O2S/c1-14-7-6-8-16(23)20(14)26-21(29)15-10-11-17-18(13-15)30-22(24-17)25-19(28)9-4-5-12-27(2)3/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H,26,29)(H,24,25,28)