N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: 1-[oxo(thiophen-2-yl)methyl]-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]-2-pyrrolidinecarboxamide IUPAC Name: N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C22H25N3O2S4 MolecularWeight: 491.7128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CCCN3C(=O)C4=CC=CS4

InChI

InChI=1S/C22H25N3O2S4/c1-14(2)28-11-12-30-22-24-16-8-7-15(13-19(16)31-22)23-20(26)17-5-3-9-25(17)21(27)18-6-4-10-29-18/h4,6-8,10,13-14,17H,3,5,9,11-12H2,1-2H3,(H,23,26)