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

Systemtic Name: N-(2-chloranyl-6-methyl-phenyl)-2-(pyrrolidin-3-ylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Openeye Name: N-(2-chloro-6-methyl-phenyl)-2-(pyrrolidin-3-ylcarbamoylamino)-1,3-benzothiazole-6-carboxamide CAS Name: N-(2-chloro-6-methylphenyl)-2-[[oxo-(3-pyrrolidinylamino)methyl]amino]-1,3-benzothiazole-6-carboxamide IUPAC Name: N-(2-chloro-6-methylphenyl)-2-(pyrrolidin-3-ylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Traditional Name: N-(2-chloro-6-methyl-phenyl)-2-(pyrrolidin-3-ylcarbamoylamino)-1,3-benzothiazole-6-carboxamide Formula: C20H20ClN5O2S MolecularWeight: 429.9231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC4CCNC4

Isomeric SMILES

CC1=C(C(=CC=C1)Cl)NC(=O)C2=CC3=C(C=C2)N=C(S3)NC(=O)NC4CCNC4

InChI

InChI=1S/C20H20ClN5O2S/c1-11-3-2-4-14(21)17(11)25-18(27)12-5-6-15-16(9-12)29-20(24-15)26-19(28)23-13-7-8-22-10-13/h2-6,9,13,22H,7-8,10H2,1H3,(H,25,27)(H2,23,24,26,28)