1,3-bis(2-methylphenyl)thiourea; methyl N,N'-bis(2-methylphenyl)carbamimidothioate

Systemtic Name: 1,3-bis(2-methylphenyl)thiourea; methyl N,N'-bis(2-methylphenyl)carbamimidothioate Openeye Name: 1,3-bis(o-tolyl)thiourea; 2-methyl-1,3-bis(o-tolyl)isothiourea CAS Name: N,N'-bis(2-methylphenyl)carbamimidothioic acid methyl ester; 1,3-bis(2-methylphenyl)thiourea IUPAC Name: 1,3-bis(2-methylphenyl)thiourea; methyl N,N'-bis(2-methylphenyl)carbamimidothioate Traditional Name: 1,3-bis(o-tolyl)thiourea; 2-methyl-1,3-bis(o-tolyl)isothiourea Formula: C31H34N4S2 MolecularWeight: 526.75846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NC2=CC=CC=C2C.CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)SC

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NC2=CC=CC=C2C.CC1=CC=CC=C1NC(=NC2=CC=CC=C2C)SC

InChI

InChI=1S/C16H18N2S.C15H16N2S/c1-12-8-4-6-10-14(12)17-16(19-3)18-15-11-7-5-9-13(15)2;1-11-7-3-5-9-13(11)16-15(18)17-14-10-6-4-8-12(14)2/h4-11H,1-3H3,(H,17,18);3-10H,1-2H3,(H2,16,17,18)