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

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-(3-pyrrolidin-1-ylpropylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-(3-pyrrolidin-1-ylpropylcarbamoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[oxo-[3-(1-pyrrolidinyl)propylamino]methyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-(3-pyrrolidin-1-ylpropylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-(3-pyrrolidinopropylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Formula: C23H26ClN5O2S MolecularWeight: 472.00284

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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)NCCCN4CCCC4

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCCN4CCCC4

InChI

InChI=1S/C23H26ClN5O2S/c1-15-6-4-7-17(24)20(15)27-21(30)16-8-9-18-19(14-16)32-23(26-18)28-22(31)25-10-5-13-29-11-2-3-12-29/h4,6-9,14H,2-3,5,10-13H2,1H3,(H,27,30)(H2,25,26,28,31)