methyl N'-(4-cyanophenyl)-N-ethyl-N-(phenylmethyl)carbamimidothioate

Systemtic Name: methyl N'-(4-cyanophenyl)-N-ethyl-N-(phenylmethyl)carbamimidothioate Openeye Name: 1-benzyl-3-(4-cyanophenyl)-1-ethyl-2-methyl-isothiourea CAS Name: N'-(4-cyanophenyl)-N-ethyl-N-(phenylmethyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N-benzyl-N'-(4-cyanophenyl)-N-ethylcarbamimidothioate Traditional Name: 1-benzyl-3-(4-cyanophenyl)-1-ethyl-2-methyl-isothiourea Formula: C18H19N3S MolecularWeight: 309.42856

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=NC2=CC=C(C=C2)C#N)SC

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=NC2=CC=C(C=C2)C#N)SC

InChI

InChI=1S/C18H19N3S/c1-3-21(14-16-7-5-4-6-8-16)18(22-2)20-17-11-9-15(13-19)10-12-17/h4-12H,3,14H2,1-2H3