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

Systemtic Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-phenethyl-pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-phenethyl-pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-phenethyl-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-phenethylpyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-phenethyl-pyrrolidine-1-carbothioamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NCCC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@@H](N(C1)C(=S)NCCC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H26N2O2S/c27-22(23-12-11-17-6-2-1-3-7-17)24-13-4-8-19(24)18-9-10-20-21(16-18)26-15-5-14-25-20/h1-3,6-7,9-10,16,19H,4-5,8,11-15H2,(H,23,27)/t19-/m1/s1