1-butyl-3-[4-[4-(butylcarbamothioylamino)phenoxy]phenyl]thiourea

Systemtic Name: 1-butyl-3-[4-[4-(butylcarbamothioylamino)phenoxy]phenyl]thiourea Openeye Name: 1-butyl-3-[4-[4-(butylcarbamothioylamino)phenoxy]phenyl]thiourea CAS Name: 1-butyl-3-[4-[4-[[butylamino(sulfanylidene)methyl]amino]phenoxy]phenyl]thiourea IUPAC Name: 1-butyl-3-[4-[4-(butylcarbamothioylamino)phenoxy]phenyl]thiourea Traditional Name: 1-butyl-3-[4-[4-(butylthiocarbamoylamino)phenoxy]phenyl]thiourea Formula: C22H30N4OS2 MolecularWeight: 430.6298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NCCCC

Isomeric SMILES

CCCCNC(=S)NC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NCCCC

InChI

InChI=1S/C22H30N4OS2/c1-3-5-15-23-21(28)25-17-7-11-19(12-8-17)27-20-13-9-18(10-14-20)26-22(29)24-16-6-4-2/h7-14H,3-6,15-16H2,1-2H3,(H2,23,25,28)(H2,24,26,29)