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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-(4-pyridylmethyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 1-ethyl-3-piperonyl-1-(4-pyridylmethyl)thiourea Formula: C17H19N3O2S MolecularWeight: 329.41666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O2S/c1-2-20(11-13-5-7-18-8-6-13)17(23)19-10-14-3-4-15-16(9-14)22-12-21-15/h3-9H,2,10-12H2,1H3,(H,19,23)