N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-diethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(2-diethylaminoethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-diethylaminoethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide Formula: C23H30N4O3S4 MolecularWeight: 538.7693

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=C(C=C2)SC)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H30N4O3S4/c1-4-25(5-2)13-14-26(23-24-18-11-10-17(31-3)16-20(18)33-23)22(28)19-8-6-12-27(19)34(29,30)21-9-7-15-32-21/h7,9-11,15-16,19H,4-6,8,12-14H2,1-3H3