methyl N-[(4-bromophenyl)carbonylamino]-N'-(4-methylphenyl)sulfonyl-carbamimidothioate

Systemtic Name: methyl N-[(4-bromophenyl)carbonylamino]-N'-(4-methylphenyl)sulfonyl-carbamimidothioate Openeye Name: 1-[(4-bromobenzoyl)amino]-2-methyl-3-(p-tolylsulfonyl)isothiourea CAS Name: N-[[(4-bromophenyl)-oxomethyl]amino]-N'-(4-methylphenyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(4-bromobenzoyl)amino]-N'-(4-methylphenyl)sulfonylcarbamimidothioate Traditional Name: 1-[(4-bromobenzoyl)amino]-2-methyl-3-tosyl-isothiourea Formula: C16H16BrN3O3S2 MolecularWeight: 442.35054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C(NNC(=O)C2=CC=C(C=C2)Br)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C(NNC(=O)C2=CC=C(C=C2)Br)SC

InChI

InChI=1S/C16H16BrN3O3S2/c1-11-3-9-14(10-4-11)25(22,23)20-16(24-2)19-18-15(21)12-5-7-13(17)8-6-12/h3-10H,1-2H3,(H,18,21)(H,19,20)