(4-cyanophenyl)methyl N'-(4-ethoxyphenyl)carbamimidothioate

Systemtic Name: (4-cyanophenyl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Openeye Name: 2-[(4-cyanophenyl)methyl]-3-(4-ethoxyphenyl)isothiourea CAS Name: N'-(4-ethoxyphenyl)carbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-(4-ethoxyphenyl)carbamimidothioate Traditional Name: 2-(4-cyanobenzyl)-3-p-phenetyl-isothiourea Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3OS/c1-2-21-16-9-7-15(8-10-16)20-17(19)22-12-14-5-3-13(11-18)4-6-14/h3-10H,2,12H2,1H3,(H2,19,20)