3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,1-bis(pyridin-2-ylmethyl)thiourea

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,1-bis(pyridin-2-ylmethyl)thiourea Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,1-bis(2-pyridylmethyl)thiourea CAS Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,1-bis(2-pyridinylmethyl)thiourea IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,1-bis(pyridin-2-ylmethyl)thiourea Traditional Name: 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,1-bis(2-pyridylmethyl)thiourea Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)NC(=S)N(CC3=CC=CC=N3)CC4=CC=CC=N4

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)NC(=S)N(CC3=CC=CC=N3)CC4=CC=CC=N4

InChI

InChI=1S/C21H20N4O2S/c28-21(24-16-7-8-19-20(13-16)27-12-11-26-19)25(14-17-5-1-3-9-22-17)15-18-6-2-4-10-23-18/h1-10,13H,11-12,14-15H2,(H,24,28)