(3,3-dimethyl-2-oxidanylidene-butyl) N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate Openeye Name: 1-benzyl-2-(3,3-dimethyl-2-oxo-butyl)-1-methyl-3-phenyl-isothiourea CAS Name: N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) N-benzyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 1-benzyl-2-(2-keto-3,3-dimethyl-butyl)-1-methyl-3-phenyl-isothiourea Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC(=NC1=CC=CC=C1)N(C)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)CSC(=NC1=CC=CC=C1)N(C)CC2=CC=CC=C2

InChI

InChI=1S/C21H26N2OS/c1-21(2,3)19(24)16-25-20(22-18-13-9-6-10-14-18)23(4)15-17-11-7-5-8-12-17/h5-14H,15-16H2,1-4H3