1-(1,3-benzodioxol-5-ylmethyl)-3-isoquinolin-5-yl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-isoquinolin-5-yl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-isoquinolyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-isoquinolinyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-isoquinolin-5-ylthiourea Traditional Name: 1-(5-isoquinolyl)-3-piperonyl-thiourea Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C18H15N3O2S/c24-18(20-9-12-4-5-16-17(8-12)23-11-22-16)21-15-3-1-2-13-10-19-7-6-14(13)15/h1-8,10H,9,11H2,(H2,20,21,24)