N-(2-chloranyl-6-methyl-phenyl)-2-[4-(dimethylamino)butanoylamino]-1,3-benzothiazole-6-carboxamide

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-[4-(dimethylamino)butanoylamino]-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-[4-(dimethylamino)butanoylamino]-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[4-(dimethylamino)-1-oxobutyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[4-(dimethylamino)butanoylamino]-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-[4-(dimethylamino)butanoylamino]-1,3-benzothiazole-6-carboxamide Formula: C21H23ClN4O2S MolecularWeight: 430.95092

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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)CCCN(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O2S/c1-13-6-4-7-15(22)19(13)25-20(28)14-9-10-16-17(12-14)29-21(23-16)24-18(27)8-5-11-26(2)3/h4,6-7,9-10,12H,5,8,11H2,1-3H3,(H,25,28)(H,23,24,27)