1-(1,3-benzodioxol-5-ylmethyl)-3-(pyridin-3-ylcarbamothioylamino)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(pyridin-3-ylcarbamothioylamino)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-pyridylcarbamothioylamino)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(3-pyridinylamino)-sulfanylidenemethyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(pyridin-3-ylcarbamothioylamino)thiourea Traditional Name: 1-piperonyl-3-(3-pyridylthiocarbamoylamino)thiourea Formula: C15H15N5O2S2 MolecularWeight: 361.4419

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=S)NC3=CN=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=S)NC3=CN=CC=C3

InChI

InChI=1S/C15H15N5O2S2/c23-14(19-20-15(24)18-11-2-1-5-16-8-11)17-7-10-3-4-12-13(6-10)22-9-21-12/h1-6,8H,7,9H2,(H2,17,19,23)(H2,18,20,24)