N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonyl-pyrrolidine-2-carboxamide Openeye Name: N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1-(2-thienylsulfonyl)pyrrolidine-2-carboxamide CAS Name: N-(2-diethylaminoethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-1-thiophen-2-ylsulfonyl-2-pyrrolidinecarboxamide IUPAC Name: N-(2-diethylaminoethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide Traditional Name: N-(2-diethylaminoethyl)-N-[4-(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=CC=C2SC)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCN(CC)CCN(C1=NC2=C(S1)C=CC=C2SC)C(=O)C3CCCN3S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C23H30N4O3S4/c1-4-25(5-2)14-15-26(23-24-21-18(31-3)10-6-11-19(21)33-23)22(28)17-9-7-13-27(17)34(29,30)20-12-8-16-32-20/h6,8,10-12,16-17H,4-5,7,9,13-15H2,1-3H3