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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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