N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(4-methylsulfanylphenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(4-methylsulfanylphenyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-[4-(methylthio)phenyl]-5-oxo-3-pyrrolidinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-5-keto-1-[4-(methylthio)phenyl]pyrrolidine-3-carboxamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O2S2/c1-28-17-10-8-16(9-11-17)25-14-15(13-21(25)26)22(27)23-12-4-7-20-24-18-5-2-3-6-19(18)29-20/h2-3,5-6,8-11,15H,4,7,12-14H2,1H3,(H,23,27)