(2R)-2-(1,3-benzothiazol-2-yl)-N-(2-phenylsulfanylethyl)pyrrolidine-1-carbothioamide

Systemtic Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(2-phenylsulfanylethyl)pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(2-phenylsulfanylethyl)pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-[2-(phenylthio)ethyl]-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(2-phenylsulfanylethyl)pyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-[2-(phenylthio)ethyl]pyrrolidine-1-carbothioamide Formula: C20H21N3S3 MolecularWeight: 399.59584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NCCSC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](N(C1)C(=S)NCCSC2=CC=CC=C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3S3/c24-20(21-12-14-25-15-7-2-1-3-8-15)23-13-6-10-17(23)19-22-16-9-4-5-11-18(16)26-19/h1-5,7-9,11,17H,6,10,12-14H2,(H,21,24)/t17-/m1/s1