4-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-N-propylsulfonyl-butanamide

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-N-propylsulfonyl-butanamide Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-N-propylsulfonyl-butanamide CAS Name: 4-(1,3-benzothiazol-2-ylthio)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-N-propylsulfonylbutanamide IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-N-propylsulfonylbutanamide Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-N-[3-(2-ketopyrrolidino)propyl]-N-propylsulfonyl-butyramide Formula: C21H29N3O4S3 MolecularWeight: 483.66766

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)N(CCCN1CCCC1=O)C(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCS(=O)(=O)N(CCCN1CCCC1=O)C(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H29N3O4S3/c1-2-16-31(27,28)24(14-7-13-23-12-5-10-19(23)25)20(26)11-6-15-29-21-22-17-8-3-4-9-18(17)30-21/h3-4,8-9H,2,5-7,10-16H2,1H3