[1-(4-bromophenyl)-4-phenyl-6-sulfanylidene-1,3,5-triazin-2-yl] N'-(2-methoxyphenyl)carbamimidothioate

Systemtic Name: [1-(4-bromophenyl)-4-phenyl-6-sulfanylidene-1,3,5-triazin-2-yl] N'-(2-methoxyphenyl)carbamimidothioate Openeye Name: 2-[1-(4-bromophenyl)-4-phenyl-6-thioxo-1,3,5-triazin-2-yl]-3-(2-methoxyphenyl)isothiourea CAS Name: N'-(2-methoxyphenyl)carbamimidothioic acid [1-(4-bromophenyl)-4-phenyl-6-sulfanylidene-1,3,5-triazin-2-yl] ester IUPAC Name: [1-(4-bromophenyl)-4-phenyl-6-sulfanylidene-1,3,5-triazin-2-yl] N'-(2-methoxyphenyl)carbamimidothioate Traditional Name: 2-[1-(4-bromophenyl)-4-phenyl-6-thioxo-s-triazin-2-yl]-3-(2-methoxyphenyl)isothiourea Formula: C23H18BrN5OS2 MolecularWeight: 524.45592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N=C(N)SC2=NC(=NC(=S)N2C3=CC=C(C=C3)Br)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N=C(N)SC2=NC(=NC(=S)N2C3=CC=C(C=C3)Br)C4=CC=CC=C4

InChI

InChI=1S/C23H18BrN5OS2/c1-30-19-10-6-5-9-18(19)26-21(25)32-23-28-20(15-7-3-2-4-8-15)27-22(31)29(23)17-13-11-16(24)12-14-17/h2-14H,1H3,(H2,25,26)