[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioate Openeye Name: 1-benzyl-2-[2-(2,5-dimethylphenyl)-2-oxo-ethyl]-1-methyl-3-phenyl-isothiourea CAS Name: N-methyl-N'-phenyl-N-(phenylmethyl)carbamimidothioic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] N-benzyl-N-methyl-N'-phenylcarbamimidothioate Traditional Name: 1-benzyl-2-[2-(2,5-dimethylphenyl)-2-keto-ethyl]-1-methyl-3-phenyl-isothiourea Formula: C25H26N2OS MolecularWeight: 402.55174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)CSC(=NC2=CC=CC=C2)N(C)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)CSC(=NC2=CC=CC=C2)N(C)CC3=CC=CC=C3

InChI

InChI=1S/C25H26N2OS/c1-19-14-15-20(2)23(16-19)24(28)18-29-25(26-22-12-8-5-9-13-22)27(3)17-21-10-6-4-7-11-21/h4-16H,17-18H2,1-3H3