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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[5-(4-chlorophenyl)furan-2-yl]methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[5-(4-chlorophenyl)-2-furyl]methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[5-(4-chlorophenyl)-2-furanyl]methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[5-(4-chlorophenyl)furan-2-yl]methyl]thiourea Traditional Name: 1-[[5-(4-chlorophenyl)-2-furyl]methyl]-3-piperonyl-thiourea Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCC3=CC=C(O3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCC3=CC=C(O3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H17ClN2O3S/c21-15-4-2-14(3-5-15)17-8-6-16(26-17)11-23-20(27)22-10-13-1-7-18-19(9-13)25-12-24-18/h1-9H,10-12H2,(H2,22,23,27)