1-(3-methylsulfanylpropyl)-3-[4-[4-(3-methylsulfanylpropylcarbamothioylamino)phenoxy]phenyl]thiourea

Systemtic Name: 1-(3-methylsulfanylpropyl)-3-[4-[4-(3-methylsulfanylpropylcarbamothioylamino)phenoxy]phenyl]thiourea Openeye Name: 1-(3-methylsulfanylpropyl)-3-[4-[4-(3-methylsulfanylpropylcarbamothioylamino)phenoxy]phenyl]thiourea CAS Name: 1-[3-(methylthio)propyl]-3-[4-[4-[[[3-(methylthio)propylamino]-sulfanylidenemethyl]amino]phenoxy]phenyl]thiourea IUPAC Name: 1-(3-methylsulfanylpropyl)-3-[4-[4-(3-methylsulfanylpropylcarbamothioylamino)phenoxy]phenyl]thiourea Traditional Name: 1-[3-(methylthio)propyl]-3-[4-[4-[3-(methylthio)propylthiocarbamoylamino]phenoxy]phenyl]thiourea Formula: C22H30N4OS4 MolecularWeight: 494.7598

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)NC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NCCCSC

Isomeric SMILES

CSCCCNC(=S)NC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NCCCSC

InChI

InChI=1S/C22H30N4OS4/c1-30-15-3-13-23-21(28)25-17-5-9-19(10-6-17)27-20-11-7-18(8-12-20)26-22(29)24-14-4-16-31-2/h5-12H,3-4,13-16H2,1-2H3,(H2,23,25,28)(H2,24,26,29)