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

Systemtic Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-prop-2-enyl-pyrrolidine-1-carbothioamide Openeye Name: (2R)-N-allyl-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-prop-2-enyl-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-prop-2-enylpyrrolidine-1-carbothioamide Traditional Name: (2R)-N-allyl-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:

C=CCNC(=S)N1CCCC1C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

C=CCNC(=S)N1CCC[C@@H]1C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H22N2O2S/c1-2-8-18-17(22)19-9-3-5-14(19)13-6-7-15-16(12-13)21-11-4-10-20-15/h2,6-7,12,14H,1,3-5,8-11H2,(H,18,22)/t14-/m1/s1