(2R)-2-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrrolidine-1-carbothioamide

Systemtic Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(1,3-benzothiazol-2-yl)-N-(4-chlorophenyl)pyrrolidine-1-carbothioamide Formula: C18H16ClN3S2 MolecularWeight: 373.92274

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](N(C1)C(=S)NC2=CC=C(C=C2)Cl)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H16ClN3S2/c19-12-7-9-13(10-8-12)20-18(23)22-11-3-5-15(22)17-21-14-4-1-2-6-16(14)24-17/h1-2,4,6-10,15H,3,5,11H2,(H,20,23)/t15-/m1/s1