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

Systemtic Name: 1-[[3-tert-butyl-5-[(cyclohexylcarbamothioylamino)methyl]phenyl]methyl]-3-cyclohexyl-thiourea Openeye Name: 1-[[3-tert-butyl-5-[(cyclohexylcarbamothioylamino)methyl]phenyl]methyl]-3-cyclohexyl-thiourea CAS Name: 1-[[3-tert-butyl-5-[[[(cyclohexylamino)-sulfanylidenemethyl]amino]methyl]phenyl]methyl]-3-cyclohexylthiourea IUPAC Name: 1-[[3-tert-butyl-5-[(cyclohexylcarbamothioylamino)methyl]phenyl]methyl]-3-cyclohexylthiourea Traditional Name: 1-[3-tert-butyl-5-[(cyclohexylthiocarbamoylamino)methyl]benzyl]-3-cyclohexyl-thiourea Formula: C26H42N4S2 MolecularWeight: 474.76848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)CNC(=S)NC2CCCCC2)CNC(=S)NC3CCCCC3

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)CNC(=S)NC2CCCCC2)CNC(=S)NC3CCCCC3

InChI

InChI=1S/C26H42N4S2/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/h14-16,22-23H,4-13,17-18H2,1-3H3,(H2,27,29,31)(H2,28,30,32)