2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide

Systemtic Name: 2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide Openeye Name: 2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-1-ylsulfonyl-benzamide CAS Name: 2-methyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-(1-pyrrolidinylsulfonyl)benzamide IUPAC Name: 2-methyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-5-pyrrolidin-1-ylsulfonylbenzamide Traditional Name: 2-methyl-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-5-pyrrolidinosulfonyl-benzamide Formula: C20H21N3O3S3 MolecularWeight: 447.59404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCC2)C(=O)NC3=CC4=C(C=C3)N=C(S4)SC

InChI

InChI=1S/C20H21N3O3S3/c1-13-5-7-15(29(25,26)23-9-3-4-10-23)12-16(13)19(24)21-14-6-8-17-18(11-14)28-20(22-17)27-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,21,24)