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

Systemtic Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(phenylmethyl)pyrrolidine-1-carbothioamide Openeye Name: (2R)-N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(phenylmethyl)-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbothioamide Traditional Name: (2R)-N-benzyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbothioamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NCC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@@H](N(C1)C(=S)NCC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H24N2O2S/c26-21(22-15-16-6-2-1-3-7-16)23-11-4-8-18(23)17-9-10-19-20(14-17)25-13-5-12-24-19/h1-3,6-7,9-10,14,18H,4-5,8,11-13,15H2,(H,22,26)/t18-/m1/s1