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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-24-17-8-6-16(7-9-17)22-21(27)23-11-2-4-18(23)15-5-10-19-20(14-15)26-13-3-12-25-19/h5-10,14,18H,2-4,11-13H2,1H3,(H,22,27)/t18-/m1/s1