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

Systemtic Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-methoxyphenyl)pyrrolidine-1-carbothioamide Openeye Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-methoxyphenyl)pyrrolidine-1-carbothioamide CAS Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-methoxyphenyl)-1-pyrrolidinecarbothioamide IUPAC Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-methoxyphenyl)pyrrolidine-1-carbothioamide Traditional Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(3-methoxyphenyl)pyrrolidine-1-carbothioamide Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCC[C@@H]2C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H24N2O3S/c1-24-17-6-2-5-16(14-17)22-21(27)23-10-3-7-18(23)15-8-9-19-20(13-15)26-12-4-11-25-19/h2,5-6,8-9,13-14,18H,3-4,7,10-12H2,1H3,(H,22,27)/t18-/m1/s1