N-(4-methyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-N-(phenylmethyl)pyrrolidine-3-carboxamide

Systemtic Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfanylphenyl)-5-oxidanylidene-N-(phenylmethyl)pyrrolidine-3-carboxamide Openeye Name: N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-(4-methyl-1,3-benzothiazol-2-yl)-1-[3-(methylthio)phenyl]-5-oxo-N-(phenylmethyl)-3-pyrrolidinecarboxamide IUPAC Name: N-benzyl-N-(4-methyl-1,3-benzothiazol-2-yl)-1-(3-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-benzyl-5-keto-N-(4-methyl-1,3-benzothiazol-2-yl)-1-[3-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C27H25N3O2S2 MolecularWeight: 487.6363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CC(=O)N(C4)C5=CC(=CC=C5)SC

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)N(CC3=CC=CC=C3)C(=O)C4CC(=O)N(C4)C5=CC(=CC=C5)SC

InChI

InChI=1S/C27H25N3O2S2/c1-18-8-6-13-23-25(18)28-27(34-23)30(16-19-9-4-3-5-10-19)26(32)20-14-24(31)29(17-20)21-11-7-12-22(15-21)33-2/h3-13,15,20H,14,16-17H2,1-2H3