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

Systemtic Name: (4-cyanophenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Openeye Name: 2-[(4-cyanophenyl)methyl]-3-(2,5-dimethylphenyl)isothiourea CAS Name: N'-(2,5-dimethylphenyl)carbamimidothioic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl N'-(2,5-dimethylphenyl)carbamimidothioate Traditional Name: 2-(4-cyanobenzyl)-3-(2,5-dimethylphenyl)isothiourea Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N=C(N)SCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)N=C(N)SCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H17N3S/c1-12-3-4-13(2)16(9-12)20-17(19)21-11-15-7-5-14(10-18)6-8-15/h3-9H,11H2,1-2H3,(H2,19,20)