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

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1,1-bis(pyridin-2-ylmethyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-yl)-1,1-bis(2-pyridylmethyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-yl)-1,1-bis(2-pyridinylmethyl)thiourea IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1,1-bis(pyridin-2-ylmethyl)thiourea Traditional Name: 3-(1,3-benzodioxol-5-yl)-1,1-bis(2-pyridylmethyl)thiourea Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)N(CC3=CC=CC=N3)CC4=CC=CC=N4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)N(CC3=CC=CC=N3)CC4=CC=CC=N4

InChI

InChI=1S/C20H18N4O2S/c27-20(23-15-7-8-18-19(11-15)26-14-25-18)24(12-16-5-1-3-9-21-16)13-17-6-2-4-10-22-17/h1-11H,12-14H2,(H,23,27)