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

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-(2-pyrrolidin-1-ylethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-(2-pyrrolidin-1-ylethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[oxo-[2-(1-pyrrolidinyl)ethylamino]methyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-(2-pyrrolidin-1-ylethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-(2-pyrrolidinoethylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Formula: C22H24ClN5O2S MolecularWeight: 457.97626

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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)NCCN4CCCC4

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NCCN4CCCC4

InChI

InChI=1S/C22H24ClN5O2S/c1-14-5-4-6-16(23)19(14)26-20(29)15-7-8-17-18(13-15)31-22(25-17)27-21(30)24-9-12-28-10-2-3-11-28/h4-8,13H,2-3,9-12H2,1H3,(H,26,29)(H2,24,25,27,30)