1-(3-methoxypropyl)-3-[(3-methylsulfanylphenyl)carbamothioylamino]thiourea

Systemtic Name: 1-(3-methoxypropyl)-3-[(3-methylsulfanylphenyl)carbamothioylamino]thiourea Openeye Name: 1-(3-methoxypropyl)-3-[(3-methylsulfanylphenyl)carbamothioylamino]thiourea CAS Name: 1-(3-methoxypropyl)-3-[[[3-(methylthio)anilino]-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(3-methoxypropyl)-3-[(3-methylsulfanylphenyl)carbamothioylamino]thiourea Traditional Name: 1-(3-methoxypropyl)-3-[[3-(methylthio)phenyl]thiocarbamoylamino]thiourea Formula: C13H20N4OS3 MolecularWeight: 344.5191

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=S)NNC(=S)NC1=CC(=CC=C1)SC

Isomeric SMILES

COCCCNC(=S)NNC(=S)NC1=CC(=CC=C1)SC

InChI

InChI=1S/C13H20N4OS3/c1-18-8-4-7-14-12(19)16-17-13(20)15-10-5-3-6-11(9-10)21-2/h3,5-6,9H,4,7-8H2,1-2H3,(H2,14,16,19)(H2,15,17,20)