(2R)-2-(1,3-benzothiazol-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carbothioamide

Systemtic Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-[(4-methoxyphenyl)methyl]-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-[(4-methoxyphenyl)methyl]pyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-p-anisyl-pyrrolidine-1-carbothioamide Formula: C20H21N3OS2 MolecularWeight: 383.53024

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=S)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=S)N2CCC[C@@H]2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21N3OS2/c1-24-15-10-8-14(9-11-15)13-21-20(25)23-12-4-6-17(23)19-22-16-5-2-3-7-18(16)26-19/h2-3,5,7-11,17H,4,6,12-13H2,1H3,(H,21,25)/t17-/m1/s1