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

Systemtic Name: 1-butyl-3-[[3-tert-butyl-5-[(butylcarbamothioylamino)methyl]phenyl]methyl]thiourea Openeye Name: 1-butyl-3-[[3-tert-butyl-5-[(butylcarbamothioylamino)methyl]phenyl]methyl]thiourea CAS Name: 1-butyl-3-[[3-tert-butyl-5-[[[butylamino(sulfanylidene)methyl]amino]methyl]phenyl]methyl]thiourea IUPAC Name: 1-butyl-3-[[3-tert-butyl-5-[(butylcarbamothioylamino)methyl]phenyl]methyl]thiourea Traditional Name: 1-butyl-3-[3-tert-butyl-5-[(butylthiocarbamoylamino)methyl]benzyl]thiourea Formula: C22H38N4S2 MolecularWeight: 422.69392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38N4S2/c1-6-8-10-23-20(27)25-15-17-12-18(14-19(13-17)22(3,4)5)16-26-21(28)24-11-9-7-2/h12-14H,6-11,15-16H2,1-5H3,(H2,23,25,27)(H2,24,26,28)