(4-cyanophenyl)methyl N'-phenethylcarbamimidothioate

Systemtic Name: (4-cyanophenyl)methyl N'-phenethylcarbamimidothioate Openeye Name: 2-[(4-cyanophenyl)methyl]-3-phenethyl-isothiourea CAS Name: N'-phenethylcarbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-phenethylcarbamimidothioate Traditional Name: 2-(4-cyanobenzyl)-3-phenethyl-isothiourea Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3S/c18-12-15-6-8-16(9-7-15)13-21-17(19)20-11-10-14-4-2-1-3-5-14/h1-9H,10-11,13H2,(H2,19,20)