1-butyl-3-[[3-[(butylcarbamothioylamino)methyl]-5-(trifluoromethyl)phenyl]methyl]thiourea

Systemtic Name: 1-butyl-3-[[3-[(butylcarbamothioylamino)methyl]-5-(trifluoromethyl)phenyl]methyl]thiourea Openeye Name: 1-butyl-3-[[3-[(butylcarbamothioylamino)methyl]-5-(trifluoromethyl)phenyl]methyl]thiourea CAS Name: 1-butyl-3-[[3-[[[butylamino(sulfanylidene)methyl]amino]methyl]-5-(trifluoromethyl)phenyl]methyl]thiourea IUPAC Name: 1-butyl-3-[[3-[(butylcarbamothioylamino)methyl]-5-(trifluoromethyl)phenyl]methyl]thiourea Traditional Name: 1-butyl-3-[3-[(butylthiocarbamoylamino)methyl]-5-(trifluoromethyl)benzyl]thiourea Formula: C19H29F3N4S2 MolecularWeight: 434.58557

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NCC1=CC(=CC(=C1)C(F)(F)F)CNC(=S)NCCCC

Isomeric SMILES

CCCCNC(=S)NCC1=CC(=CC(=C1)C(F)(F)F)CNC(=S)NCCCC

InChI

InChI=1S/C19H29F3N4S2/c1-3-5-7-23-17(27)25-12-14-9-15(11-16(10-14)19(20,21)22)13-26-18(28)24-8-6-4-2/h9-11H,3-8,12-13H2,1-2H3,(H2,23,25,27)(H2,24,26,28)