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

Systemtic Name: methyl N-[(4-methoxyphenyl)carbonylamino]-N'-(4-methylphenyl)sulfonyl-carbamimidothioate Openeye Name: 1-[(4-methoxybenzoyl)amino]-2-methyl-3-(p-tolylsulfonyl)isothiourea CAS Name: N-[[(4-methoxyphenyl)-oxomethyl]amino]-N'-(4-methylphenyl)sulfonylcarbamimidothioic acid methyl ester IUPAC Name: methyl N-[(4-methoxybenzoyl)amino]-N'-(4-methylphenyl)sulfonylcarbamimidothioate Traditional Name: 2-methyl-1-(p-anisoylamino)-3-tosyl-isothiourea Formula: C17H19N3O4S2 MolecularWeight: 393.48046

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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)OC)SC

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S2/c1-12-4-10-15(11-5-12)26(22,23)20-17(25-3)19-18-16(21)13-6-8-14(24-2)9-7-13/h4-11H,1-3H3,(H,18,21)(H,19,20)