(2,5-dimethylphenyl)methyl N'-(4-ethoxyphenyl)carbamimidothioate

Systemtic Name: (2,5-dimethylphenyl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Openeye Name: 2-[(2,5-dimethylphenyl)methyl]-3-(4-ethoxyphenyl)isothiourea CAS Name: N'-(4-ethoxyphenyl)carbamimidothioic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Traditional Name: 2-(2,5-dimethylbenzyl)-3-p-phenetyl-isothiourea Formula: C18H22N2OS MolecularWeight: 314.44508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C(N)SCC2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C(N)SCC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C18H22N2OS/c1-4-21-17-9-7-16(8-10-17)20-18(19)22-12-15-11-13(2)5-6-14(15)3/h5-11H,4,12H2,1-3H3,(H2,19,20)