methyl N'-(4-bromophenyl)sulfonyl-N-phenyl-carbamimidothioate

Systemtic Name: methyl N'-(4-bromophenyl)sulfonyl-N-phenyl-carbamimidothioate Openeye Name: 3-(4-bromophenyl)sulfonyl-2-methyl-1-phenyl-isothiourea CAS Name: N'-(4-bromophenyl)sulfonyl-N-phenylcarbamimidothioic acid methyl ester IUPAC Name: methyl N'-(4-bromophenyl)sulfonyl-N-phenylcarbamimidothioate Traditional Name: 3-brosyl-2-methyl-1-phenyl-isothiourea Formula: C14H13BrN2O2S2 MolecularWeight: 385.29922

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NS(=O)(=O)C1=CC=C(C=C1)Br)NC2=CC=CC=C2

Isomeric SMILES

CSC(=NS(=O)(=O)C1=CC=C(C=C1)Br)NC2=CC=CC=C2

InChI

InChI=1S/C14H13BrN2O2S2/c1-20-14(16-12-5-3-2-4-6-12)17-21(18,19)13-9-7-11(15)8-10-13/h2-10H,1H3,(H,16,17)