[4-oxidanylidene-4-(2,4,6-trimethylphenyl)butyl] carbamimidothioate

Systemtic Name: [4-oxidanylidene-4-(2,4,6-trimethylphenyl)butyl] carbamimidothioate Openeye Name: 2-[4-oxo-4-(2,4,6-trimethylphenyl)butyl]isothiourea CAS Name: carbamimidothioic acid [4-oxo-4-(2,4,6-trimethylphenyl)butyl] ester IUPAC Name: [4-oxo-4-(2,4,6-trimethylphenyl)butyl] carbamimidothioate Traditional Name: 2-(4-keto-4-mesityl-butyl)isothiourea Formula: C14H20N2OS MolecularWeight: 264.3864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2OS/c1-9-7-10(2)13(11(3)8-9)12(17)5-4-6-18-14(15)16/h7-8H,4-6H2,1-3H3,(H3,15,16)