N-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide

Systemtic Name: N-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide Openeye Name: N-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide CAS Name: N-(3,4-dimethoxyphenyl)-1-pyrrolidinecarbothioamide IUPAC Name: N-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide Traditional Name: N-(3,4-dimethoxyphenyl)pyrrolidine-1-carbothioamide Formula: C13H18N2O2S MolecularWeight: 266.35922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)N2CCCC2)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)N2CCCC2)OC

InChI

InChI=1S/C13H18N2O2S/c1-16-11-6-5-10(9-12(11)17-2)14-13(18)15-7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,18)