1-(1,3-benzodioxol-5-yl)-3-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(pyridin-4-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(4-pyridylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(pyridin-4-ylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(4-pyridylmethyl)thiourea Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NCC3=CC=NC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NCC3=CC=NC=C3

InChI

InChI=1S/C14H13N3O2S/c20-14(16-8-10-3-5-15-6-4-10)17-11-1-2-12-13(7-11)19-9-18-12/h1-7H,8-9H2,(H2,16,17,20)