1-(furan-2-ylmethyl)-5-oxidanylidene-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(furan-2-ylmethyl)-5-oxidanylidene-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrrolidine-3-carboxamide Openeye Name: 1-(2-furylmethyl)-N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-5-oxo-pyrrolidine-3-carboxamide CAS Name: 1-(2-furanylmethyl)-5-oxo-N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(furan-2-ylmethyl)-5-oxo-N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]pyrrolidine-3-carboxamide Traditional Name: 1-(2-furfuryl)-N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-5-keto-pyrrolidine-3-carboxamide Formula: C22H25N3O3S3 MolecularWeight: 475.6472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(=O)N(C3)CC4=CC=CO4

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3CC(=O)N(C3)CC4=CC=CO4

InChI

InChI=1S/C22H25N3O3S3/c1-14(2)29-8-9-30-22-24-18-6-5-16(11-19(18)31-22)23-21(27)15-10-20(26)25(12-15)13-17-4-3-7-28-17/h3-7,11,14-15H,8-10,12-13H2,1-2H3,(H,23,27)