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

Systemtic Name: (2R)-N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbothioamide Openeye Name: (2R)-N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbothioamide CAS Name: (2R)-N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbothioamide Traditional Name: (2R)-N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-1-carbothioamide Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=S)NC2CC2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@@H](N(C1)C(=S)NC2CC2)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C17H22N2O2S/c22-17(18-13-5-6-13)19-8-1-3-14(19)12-4-7-15-16(11-12)21-10-2-9-20-15/h4,7,11,13-14H,1-3,5-6,8-10H2,(H,18,22)/t14-/m1/s1