3-[4-[[4-(diphenylcarbamothioylamino)-3-methyl-phenyl]methyl]-2-methyl-phenyl]-1,1-diphenyl-thiourea

Systemtic Name: 3-[4-[[4-(diphenylcarbamothioylamino)-3-methyl-phenyl]methyl]-2-methyl-phenyl]-1,1-diphenyl-thiourea Openeye Name: 3-[4-[[4-(diphenylcarbamothioylamino)-3-methyl-phenyl]methyl]-2-methyl-phenyl]-1,1-diphenyl-thiourea CAS Name: 3-[2-methyl-4-[[3-methyl-4-[[(N-phenylanilino)-sulfanylidenemethyl]amino]phenyl]methyl]phenyl]-1,1-diphenylthiourea IUPAC Name: 3-[4-[[4-(diphenylcarbamothioylamino)-3-methylphenyl]methyl]-2-methylphenyl]-1,1-diphenylthiourea Traditional Name: 3-[4-[4-(diphenylthiocarbamoylamino)-3-methyl-benzyl]-2-methyl-phenyl]-1,1-diphenyl-thiourea Formula: C41H36N4S2 MolecularWeight: 648.88134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)NC(=S)N(C3=CC=CC=C3)C4=CC=CC=C4)C)NC(=S)N(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)NC(=S)N(C3=CC=CC=C3)C4=CC=CC=C4)C)NC(=S)N(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C41H36N4S2/c1-30-27-32(23-25-38(30)42-40(46)44(34-15-7-3-8-16-34)35-17-9-4-10-18-35)29-33-24-26-39(31(2)28-33)43-41(47)45(36-19-11-5-12-20-36)37-21-13-6-14-22-37/h3-28H,29H2,1-2H3,(H,42,46)(H,43,47)