methyl N-benzamido-N'-(4-methylphenyl)sulfonyl-carbamimidothioate

Systemtic Name: methyl N-benzamido-N'-(4-methylphenyl)sulfonyl-carbamimidothioate Openeye Name: 1-benzamido-2-methyl-3-(p-tolylsulfonyl)isothiourea CAS Name: N-benzamido-N'-(4-methylphenyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-benzamido-N'-(4-methylphenyl)sulfonylcarbamimidothioate Traditional Name: 1-benzamido-2-methyl-3-tosyl-isothiourea Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O3S2/c1-12-8-10-14(11-9-12)24(21,22)19-16(23-2)18-17-15(20)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,17,20)(H,18,19)