propyl N-(2,6-dimethylphenyl)-N'-ethyl-carbamimidothioate

Systemtic Name: propyl N-(2,6-dimethylphenyl)-N'-ethyl-carbamimidothioate Openeye Name: 1-(2,6-dimethylphenyl)-3-ethyl-2-propyl-isothiourea CAS Name: N-(2,6-dimethylphenyl)-N'-ethylcarbamimidothioic acid propyl ester IUPAC Name: propyl N-(2,6-dimethylphenyl)-N'-ethylcarbamimidothioate Traditional Name: 1-(2,6-dimethylphenyl)-3-ethyl-2-propyl-isothiourea Formula: C14H22N2S MolecularWeight: 250.40288

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=NCC)NC1=C(C=CC=C1C)C

Isomeric SMILES

CCCSC(=NCC)NC1=C(C=CC=C1C)C

InChI

InChI=1S/C14H22N2S/c1-5-10-17-14(15-6-2)16-13-11(3)8-7-9-12(13)4/h7-9H,5-6,10H2,1-4H3,(H,15,16)