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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloranyl-2-methoxy-phenyl)-1-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-methoxy-phenyl)-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-methoxyphenyl)-1-(2-oxolanylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-methoxyphenyl)-1-(oxolan-2-ylmethyl)thiourea Traditional Name: 3-(5-chloro-2-methoxy-phenyl)-1-piperonyl-1-(tetrahydrofurfuryl)thiourea Formula: C21H23ClN2O4S MolecularWeight: 434.93632

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=S)N(CC2CCCO2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=S)N(CC2CCCO2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23ClN2O4S/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/h4-7,9-10,16H,2-3,8,11-13H2,1H3,(H,23,29)