1-cyclohexyl-3-[[3-[[[(3R)-heptan-3-yl]carbamothioylamino]methyl]phenyl]methyl]thiourea

Systemtic Name: 1-cyclohexyl-3-[[3-[[[(3R)-heptan-3-yl]carbamothioylamino]methyl]phenyl]methyl]thiourea Openeye Name: 1-cyclohexyl-3-[[3-[[[(1R)-1-ethylpentyl]carbamothioylamino]methyl]phenyl]methyl]thiourea CAS Name: 1-cyclohexyl-3-[[3-[[[[[(3R)-heptan-3-yl]amino]-sulfanylidenemethyl]amino]methyl]phenyl]methyl]thiourea IUPAC Name: 1-cyclohexyl-3-[[3-[[[(3R)-heptan-3-yl]carbamothioylamino]methyl]phenyl]methyl]thiourea Traditional Name: 1-cyclohexyl-3-[3-[[[(1R)-1-ethylpentyl]thiocarbamoylamino]methyl]benzyl]thiourea Formula: C23H38N4S2 MolecularWeight: 434.70462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)NC(=S)NCC1=CC=CC(=C1)CNC(=S)NC2CCCCC2

Isomeric SMILES

CCCC[C@@H](CC)NC(=S)NCC1=CC=CC(=C1)CNC(=S)NC2CCCCC2

InChI

InChI=1S/C23H38N4S2/c1-3-5-12-20(4-2)26-22(28)24-16-18-10-9-11-19(15-18)17-25-23(29)27-21-13-7-6-8-14-21/h9-11,15,20-21H,3-8,12-14,16-17H2,1-2H3,(H2,24,26,28)(H2,25,27,29)/t20-/m1/s1