N-(1,3-benzothiazol-2-yl)-1-(4-phenylsulfanylbutanoyl)pyrrolidine-2-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-(4-phenylsulfanylbutanoyl)pyrrolidine-2-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-(4-phenylsulfanylbutanoyl)pyrrolidine-2-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-[1-oxo-4-(phenylthio)butyl]-2-pyrrolidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-(4-phenylsulfanylbutanoyl)pyrrolidine-2-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-[4-(phenylthio)butanoyl]pyrrolidine-2-carboxamide Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCSC2=CC=CC=C2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC(N(C1)C(=O)CCCSC2=CC=CC=C2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

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