1-[[3-tert-butyl-5-[[(phenylmethyl)carbamothioylamino]methyl]phenyl]methyl]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[[3-tert-butyl-5-[[(phenylmethyl)carbamothioylamino]methyl]phenyl]methyl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[[3-[(benzylcarbamothioylamino)methyl]-5-tert-butyl-phenyl]methyl]thiourea CAS Name: 1-[[3-tert-butyl-5-[[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]methyl]phenyl]methyl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[[3-[(benzylcarbamothioylamino)methyl]-5-tert-butylphenyl]methyl]thiourea Traditional Name: 1-benzyl-3-[3-[(benzylthiocarbamoylamino)methyl]-5-tert-butyl-benzyl]thiourea Formula: C28H34N4S2 MolecularWeight: 490.72636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CNC(=S)NCC2=CC=CC=C2)CNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CNC(=S)NCC2=CC=CC=C2)CNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C28H34N4S2/c1-28(2,3)25-15-23(19-31-26(33)29-17-21-10-6-4-7-11-21)14-24(16-25)20-32-27(34)30-18-22-12-8-5-9-13-22/h4-16H,17-20H2,1-3H3,(H2,29,31,33)(H2,30,32,34)