3-(1,3-benzodioxol-5-ylmethyl)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-methyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-methyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[[5-(4-chlorophenyl)-2-furyl]methyl]-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[[5-(4-chlorophenyl)-2-furanyl]methyl]-1-methylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[[5-(4-chlorophenyl)furan-2-yl]methyl]-1-methylthiourea Traditional Name: 1-[[5-(4-chlorophenyl)-2-furyl]methyl]-1-methyl-3-piperonyl-thiourea Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(O1)C2=CC=C(C=C2)Cl)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN(CC1=CC=C(O1)C2=CC=C(C=C2)Cl)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19ClN2O3S/c1-24(12-17-7-9-18(27-17)15-3-5-16(22)6-4-15)21(28)23-11-14-2-8-19-20(10-14)26-13-25-19/h2-10H,11-13H2,1H3,(H,23,28)