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

Systemtic Name: methyl N'-(4-bromophenyl)sulfonyl-N-[(4-methylphenyl)carbonylamino]carbamimidothioate Openeye Name: 3-(4-bromophenyl)sulfonyl-2-methyl-1-[(4-methylbenzoyl)amino]isothiourea CAS Name: N'-(4-bromophenyl)sulfonyl-N-[[(4-methylphenyl)-oxomethyl]amino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(4-bromophenyl)sulfonyl-N-[(4-methylbenzoyl)amino]carbamimidothioate Traditional Name: 3-brosyl-2-methyl-1-(p-toluoylamino)isothiourea Formula: C16H16BrN3O3S2 MolecularWeight: 442.35054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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