1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloranyl-2-methoxy-phenyl)-1-(furan-2-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloranyl-2-methoxy-phenyl)-1-(furan-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-methoxy-phenyl)-1-(2-furylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-methoxyphenyl)-1-(2-furanylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-methoxyphenyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 3-(5-chloro-2-methoxy-phenyl)-1-(2-furfuryl)-1-piperonyl-thiourea Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4S/c1-25-18-7-5-15(22)10-17(18)23-21(29)24(12-16-3-2-8-26-16)11-14-4-6-19-20(9-14)28-13-27-19/h2-10H,11-13H2,1H3,(H,23,29)