1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxydibenzofuran-3-yl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxydibenzofuran-3-yl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxydibenzofuran-3-yl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxy-3-dibenzofuranyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-methoxydibenzofuran-3-yl)thiourea Traditional Name: 1-(2-methoxydibenzofuran-3-yl)-3-piperonyl-thiourea Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=S)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=CC=CC=C3O2)NC(=S)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H18N2O4S/c1-25-20-9-15-14-4-2-3-5-17(14)28-19(15)10-16(20)24-22(29)23-11-13-6-7-18-21(8-13)27-12-26-18/h2-10H,11-12H2,1H3,(H2,23,24,29)