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

Systemtic Name: methyl N-[(4-methylphenyl)carbonylamino]-N'-(phenylsulfonyl)carbamimidothioate Openeye Name: 3-(benzenesulfonyl)-2-methyl-1-[(4-methylbenzoyl)amino]isothiourea CAS Name: N'-(benzenesulfonyl)-N-[[(4-methylphenyl)-oxomethyl]amino]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-(benzenesulfonyl)-N-[(4-methylbenzoyl)amino]carbamimidothioate Traditional Name: 3-besyl-2-methyl-1-(p-toluoylamino)isothiourea Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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