(2R)-N-(4-chlorophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbothioamide

Systemtic Name: (2R)-N-(4-chlorophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbothioamide Openeye Name: (2R)-N-(4-chlorophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbothioamide CAS Name: (2R)-N-(4-chlorophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-N-(4-chlorophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbothioamide Traditional Name: (2R)-N-(4-chlorophenyl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbothioamide Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NC2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@@H](N(C1)C(=S)NC2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H21ClN2O2S/c21-15-5-7-16(8-6-15)22-20(26)23-10-1-3-17(23)14-4-9-18-19(13-14)25-12-2-11-24-18/h4-9,13,17H,1-3,10-12H2,(H,22,26)/t17-/m1/s1