N-(2,5-dimethylphenyl)pyrrolidine-1-carbothioamide

Systemtic Name: N-(2,5-dimethylphenyl)pyrrolidine-1-carbothioamide Openeye Name: N-(2,5-dimethylphenyl)pyrrolidine-1-carbothioamide CAS Name: N-(2,5-dimethylphenyl)-1-pyrrolidinecarbothioamide IUPAC Name: N-(2,5-dimethylphenyl)pyrrolidine-1-carbothioamide Traditional Name: N-(2,5-dimethylphenyl)pyrrolidine-1-carbothioamide Formula: C13H18N2S MolecularWeight: 234.36042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)N2CCCC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)N2CCCC2

InChI

InChI=1S/C13H18N2S/c1-10-5-6-11(2)12(9-10)14-13(16)15-7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16)