1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-2-ylamino)ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-2-ylamino)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-pyridylamino)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(2-pyridinylamino)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(pyridin-2-ylamino)ethyl]thiourea Traditional Name: 1-piperonyl-3-[2-(2-pyridylamino)ethyl]thiourea Formula: C16H18N4O2S MolecularWeight: 330.40472

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCCNC3=CC=CC=N3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCCNC3=CC=CC=N3

InChI

InChI=1S/C16H18N4O2S/c23-16(19-8-7-18-15-3-1-2-6-17-15)20-10-12-4-5-13-14(9-12)22-11-21-13/h1-6,9H,7-8,10-11H2,(H,17,18)(H2,19,20,23)