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

Systemtic Name: 1-[[3-tert-butyl-5-[(phenylcarbamothioylamino)methyl]phenyl]methyl]-3-phenyl-thiourea Openeye Name: 1-[[3-tert-butyl-5-[(phenylcarbamothioylamino)methyl]phenyl]methyl]-3-phenyl-thiourea CAS Name: 1-[[3-[[[anilino(sulfanylidene)methyl]amino]methyl]-5-tert-butylphenyl]methyl]-3-phenylthiourea IUPAC Name: 1-[[3-tert-butyl-5-[(phenylcarbamothioylamino)methyl]phenyl]methyl]-3-phenylthiourea Traditional Name: 1-[3-tert-butyl-5-[(phenylthiocarbamoylamino)methyl]benzyl]-3-phenyl-thiourea Formula: C26H30N4S2 MolecularWeight: 462.6732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CNC(=S)NC2=CC=CC=C2)CNC(=S)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CNC(=S)NC2=CC=CC=C2)CNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C26H30N4S2/c1-26(2,3)21-15-19(17-27-24(31)29-22-10-6-4-7-11-22)14-20(16-21)18-28-25(32)30-23-12-8-5-9-13-23/h4-16H,17-18H2,1-3H3,(H2,27,29,31)(H2,28,30,32)