[4-(3,5-dimethylphenyl)-4-oxidanylidene-butyl] carbamimidothioate

Systemtic Name: [4-(3,5-dimethylphenyl)-4-oxidanylidene-butyl] carbamimidothioate Openeye Name: 2-[4-(3,5-dimethylphenyl)-4-oxo-butyl]isothiourea CAS Name: carbamimidothioic acid [4-(3,5-dimethylphenyl)-4-oxobutyl] ester IUPAC Name: [4-(3,5-dimethylphenyl)-4-oxobutyl] carbamimidothioate Traditional Name: 2-[4-(3,5-dimethylphenyl)-4-keto-butyl]isothiourea Formula: C13H18N2OS MolecularWeight: 250.35982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)CCCSC(=N)N)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)CCCSC(=N)N)C

InChI

InChI=1S/C13H18N2OS/c1-9-6-10(2)8-11(7-9)12(16)4-3-5-17-13(14)15/h6-8H,3-5H2,1-2H3,(H3,14,15)