1-(1,3-benzodioxol-5-ylmethyl)-3-(1,10-phenanthrolin-5-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,10-phenanthrolin-5-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,10-phenanthrolin-5-yl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,10-phenanthrolin-5-yl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(1,10-phenanthrolin-5-yl)thiourea Traditional Name: 1-(1,10-phenanthrolin-5-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=C4C=CC=NC4=C5C(=C3)C=CC=N5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=C4C=CC=NC4=C5C(=C3)C=CC=N5

InChI

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