1-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-methyl-3-(phenylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-1-methyl-3-(phenylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-3-benzyl-1-methyl-thiourea CAS Name: 1-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-1-methyl-3-(phenylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-3-benzyl-1-methylthiourea Traditional Name: 3-benzyl-1-methyl-1-(piperonylthiocarbamoylamino)thiourea Formula: C18H20N4O2S2 MolecularWeight: 388.507

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCC1=CC=CC=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(C(=S)NCC1=CC=CC=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N4O2S2/c1-22(18(26)20-10-13-5-3-2-4-6-13)21-17(25)19-11-14-7-8-15-16(9-14)24-12-23-15/h2-9H,10-12H2,1H3,(H,20,26)(H2,19,21,25)