methyl N'-[(4-azidophenyl)-phenyl-methyl]-N-(4-cyanophenyl)carbamimidothioate

Systemtic Name: methyl N'-[(4-azidophenyl)-phenyl-methyl]-N-(4-cyanophenyl)carbamimidothioate Openeye Name: 3-[(4-azidophenyl)-phenyl-methyl]-1-(4-cyanophenyl)-2-methyl-isothiourea CAS Name: N'-[(4-azidophenyl)-phenylmethyl]-N-(4-cyanophenyl)carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[(4-azidophenyl)-phenylmethyl]-N-(4-cyanophenyl)carbamimidothioate Traditional Name: 3-[(4-azidophenyl)-phenyl-methyl]-1-(4-cyanophenyl)-2-methyl-isothiourea Formula: C22H18N6S MolecularWeight: 398.48352

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC(C1=CC=CC=C1)C2=CC=C(C=C2)N=[N+]=[N-])NC3=CC=C(C=C3)C#N

Isomeric SMILES

CSC(=NC(C1=CC=CC=C1)C2=CC=C(C=C2)N=[N+]=[N-])NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H18N6S/c1-29-22(25-19-11-7-16(15-23)8-12-19)26-21(17-5-3-2-4-6-17)18-9-13-20(14-10-18)27-28-24/h2-14,21H,1H3,(H,25,26)