1-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)thiourea Traditional Name: 1-(2-keto-1,3-dihydrobenzimidazol-5-yl)-3-piperonyl-thiourea Formula: C16H14N4O3S MolecularWeight: 342.37236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC4=C(C=C3)NC(=O)N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC4=C(C=C3)NC(=O)N4

InChI

InChI=1S/C16H14N4O3S/c21-15-19-11-3-2-10(6-12(11)20-15)18-16(24)17-7-9-1-4-13-14(5-9)23-8-22-13/h1-6H,7-8H2,(H2,17,18,24)(H2,19,20,21)