4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]benzamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]benzamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[3-(2-oxo-1-pyrrolidinyl)propyl]benzamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-N-[3-(2-ketopyrrolidino)propyl]benzamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(=O)N(C1)CCCNC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O2S2/c26-20-7-3-13-25(20)14-4-12-23-21(27)17-10-8-16(9-11-17)15-28-22-24-18-5-1-2-6-19(18)29-22/h1-2,5-6,8-11H,3-4,7,12-15H2,(H,23,27)