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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(furan-2-ylmethyl)-1-(phenylmethyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-1-(2-furylmethyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-furanylmethyl)-1-(phenylmethyl)thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-benzyl-1-(furan-2-ylmethyl)thiourea Traditional Name: 1-benzyl-1-(2-furfuryl)-3-piperonyl-thiourea Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)N(CC3=CC=CC=C3)CC4=CC=CO4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)N(CC3=CC=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C21H20N2O3S/c27-21(22-12-17-8-9-19-20(11-17)26-15-25-19)23(14-18-7-4-10-24-18)13-16-5-2-1-3-6-16/h1-11H,12-15H2,(H,22,27)