1-(1,3-benzodioxol-5-ylmethyl)-3-[(phenylmethyl)carbamothioylamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(phenylmethyl)carbamothioylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(benzylcarbamothioylamino)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(benzylcarbamothioylamino)thiourea Traditional Name: 1-benzyl-3-(piperonylthiocarbamoylamino)thiourea Formula: C17H18N4O2S2 MolecularWeight: 374.48042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=S)NCC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=S)NCC3=CC=CC=C3

InChI

InChI=1S/C17H18N4O2S2/c24-16(18-9-12-4-2-1-3-5-12)20-21-17(25)19-10-13-6-7-14-15(8-13)23-11-22-14/h1-8H,9-11H2,(H2,18,20,24)(H2,19,21,25)