3-(1,3-benzodioxol-5-ylmethyl)-1-(furan-2-ylmethyl)-1-[(2-hydroxyphenyl)methyl]thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)N(CC3=CC=CC=C3O)CC4=CC=CO4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)N(CC3=CC=CC=C3O)CC4=CC=CO4

InChI

InChI=1S/C21H20N2O4S/c24-18-6-2-1-4-16(18)12-23(13-17-5-3-9-25-17)21(28)22-11-15-7-8-19-20(10-15)27-14-26-19/h1-10,24H,11-14H2,(H,22,28)