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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-phenazin-2-yl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-phenazin-2-yl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-phenazinyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-phenazin-2-ylthiourea Traditional Name: 1-phenazin-2-yl-3-piperonyl-thiourea Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC4=NC5=CC=CC=C5N=C4C=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC4=NC5=CC=CC=C5N=C4C=C3

InChI

InChI=1S/C21H16N4O2S/c28-21(22-11-13-5-8-19-20(9-13)27-12-26-19)23-14-6-7-17-18(10-14)25-16-4-2-1-3-15(16)24-17/h1-10H,11-12H2,(H2,22,23,28)