methyl N-methyl-N'-(2-methyl-4-oxidanylidene-pentan-2-yl)-N-phenyl-carbamimidothioate

Systemtic Name: methyl N-methyl-N'-(2-methyl-4-oxidanylidene-pentan-2-yl)-N-phenyl-carbamimidothioate Openeye Name: 3-(1,1-dimethyl-3-oxo-butyl)-1,2-dimethyl-1-phenyl-isothiourea CAS Name: N-methyl-N'-(2-methyl-4-oxopentan-2-yl)-N-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-methyl-N'-(2-methyl-4-oxopentan-2-yl)-N-phenylcarbamimidothioate Traditional Name: 3-(3-keto-1,1-dimethyl-butyl)-1,2-dimethyl-1-phenyl-isothiourea Formula: C15H22N2OS MolecularWeight: 278.41298

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)N=C(N(C)C1=CC=CC=C1)SC

Isomeric SMILES

CC(=O)CC(C)(C)N=C(N(C)C1=CC=CC=C1)SC

InChI

InChI=1S/C15H22N2OS/c1-12(18)11-15(2,3)16-14(19-5)17(4)13-9-7-6-8-10-13/h6-10H,11H2,1-5H3