(4-cyanophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate

Systemtic Name: (4-cyanophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate Openeye Name: 2-[(4-cyanophenyl)methyl]-3-(3-methoxyphenyl)isothiourea CAS Name: N'-(3-methoxyphenyl)carbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-(3-methoxyphenyl)carbamimidothioate Traditional Name: 2-(4-cyanobenzyl)-3-(3-methoxyphenyl)isothiourea Formula: C16H15N3OS MolecularWeight: 297.3748

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N=C(N)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

COC1=CC=CC(=C1)N=C(N)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C16H15N3OS/c1-20-15-4-2-3-14(9-15)19-16(18)21-11-13-7-5-12(10-17)6-8-13/h2-9H,11H2,1H3,(H2,18,19)