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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylpyridin-2-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methyl-2-pyridyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methyl-2-pyridinyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-methylpyridin-2-yl)thiourea Traditional Name: 1-(4-methyl-2-pyridyl)-3-piperonyl-thiourea Formula: C15H15N3O2S MolecularWeight: 301.3635

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=NC=C1)NC(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H15N3O2S/c1-10-4-5-16-14(6-10)18-15(21)17-8-11-2-3-12-13(7-11)20-9-19-12/h2-7H,8-9H2,1H3,(H2,16,17,18,21)