1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(3-pyridyl)ethylideneamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-(3-pyridinyl)ethylideneamino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[(Z)-1-pyridin-3-ylethylideneamino]thiourea Traditional Name: 1-piperonyl-3-[(Z)-1-(3-pyridyl)ethylideneamino]thiourea Formula: C16H16N4O2S MolecularWeight: 328.38884

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)NCC1=CC2=C(C=C1)OCO2)C3=CN=CC=C3

Isomeric SMILES

C/C(=N/NC(=S)NCC1=CC2=C(C=C1)OCO2)/C3=CN=CC=C3

InChI

InChI=1S/C16H16N4O2S/c1-11(13-3-2-6-17-9-13)19-20-16(23)18-8-12-4-5-14-15(7-12)22-10-21-14/h2-7,9H,8,10H2,1H3,(H2,18,20,23)/b19-11-