3-(1,3-benzodioxol-5-ylmethyl)-1-(2-hydroxyethyl)-1-(phenylmethyl)thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-hydroxyethyl)-1-(phenylmethyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-hydroxyethyl)-1-(phenylmethyl)thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-1-(2-hydroxyethyl)thiourea Traditional Name: 1-benzyl-1-(2-hydroxyethyl)-3-piperonyl-thiourea Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)N(CCO)CC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)N(CCO)CC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O3S/c21-9-8-20(12-14-4-2-1-3-5-14)18(24)19-11-15-6-7-16-17(10-15)23-13-22-16/h1-7,10,21H,8-9,11-13H2,(H,19,24)