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

Systemtic Name: methyl N-[(4-methylphenyl)carbonylamino]-N'-(4-methylphenyl)sulfonyl-carbamimidothioate Openeye Name: 2-methyl-1-[(4-methylbenzoyl)amino]-3-(p-tolylsulfonyl)isothiourea CAS Name: N-[[(4-methylphenyl)-oxomethyl]amino]-N'-(4-methylphenyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(4-methylbenzoyl)amino]-N'-(4-methylphenyl)sulfonylcarbamimidothioate Traditional Name: 2-methyl-1-(p-toluoylamino)-3-tosyl-isothiourea Formula: C17H19N3O3S2 MolecularWeight: 377.48106

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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)C)SC

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S2/c1-12-4-8-14(9-5-12)16(21)18-19-17(24-3)20-25(22,23)15-10-6-13(2)7-11-15/h4-11H,1-3H3,(H,18,21)(H,19,20)