1-(1,3-benzodioxol-5-ylmethyl)-1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(2-furylmethyl)-3-(4-methoxyphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(2-furanylmethyl)-3-(4-methoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(furan-2-ylmethyl)-3-(4-methoxyphenyl)thiourea Traditional Name: 1-(2-furfuryl)-3-(4-methoxyphenyl)-1-piperonyl-thiourea Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CO4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N(CC2=CC3=C(C=C2)OCO3)CC4=CC=CO4

InChI

InChI=1S/C21H20N2O4S/c1-24-17-7-5-16(6-8-17)22-21(28)23(13-18-3-2-10-25-18)12-15-4-9-19-20(11-15)27-14-26-19/h2-11H,12-14H2,1H3,(H,22,28)