1-(5-chloranylthiophen-2-yl)sulfonyl-N-(2-dimethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: 1-(5-chloranylthiophen-2-yl)sulfonyl-N-(2-dimethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Openeye Name: 1-[(5-chloro-2-thienyl)sulfonyl]-N-(2-dimethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide CAS Name: 1-[(5-chloro-2-thiophenyl)sulfonyl]-N-(2-dimethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-(5-chlorothiophen-2-yl)sulfonyl-N-(2-dimethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide Traditional Name: 1-[(5-chloro-2-thienyl)sulfonyl]-N-(2-dimethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]pyrrolidine-2-carboxamide Formula: C21H25ClN4O3S4 MolecularWeight: 545.1612

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3CCCN3S(=O)(=O)C4=CC=C(S4)Cl

Isomeric SMILES

CN(C)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3CCCN3S(=O)(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C21H25ClN4O3S4/c1-24(2)12-13-25(21-23-19-15(30-3)7-4-8-16(19)31-21)20(27)14-6-5-11-26(14)33(28,29)18-10-9-17(22)32-18/h4,7-10,14H,5-6,11-13H2,1-3H3