1-(1,3-benzodioxol-5-yl)-3-(4-methylpyridin-2-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methylpyridin-2-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methyl-2-pyridyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methyl-2-pyridinyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methylpyridin-2-yl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methyl-2-pyridyl)thiourea Formula: C14H13N3O2S MolecularWeight: 287.33692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=NC=C1)NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H13N3O2S/c1-9-4-5-15-13(6-9)17-14(20)16-10-2-3-11-12(7-10)19-8-18-11/h2-7H,8H2,1H3,(H2,15,16,17,20)