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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloranyl-5-methyl-phenyl)-1-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-5-methyl-phenyl)-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-5-methylphenyl)-1-(2-oxolanylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chloro-5-methylphenyl)-1-(oxolan-2-ylmethyl)thiourea Traditional Name: 3-(2-chloro-5-methyl-phenyl)-1-piperonyl-1-(tetrahydrofurfuryl)thiourea Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Cl)NC(=S)N(CC2CCCO2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)Cl)NC(=S)N(CC2CCCO2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23ClN2O3S/c1-14-4-6-17(22)18(9-14)23-21(28)24(12-16-3-2-8-25-16)11-15-5-7-19-20(10-15)27-13-26-19/h4-7,9-10,16H,2-3,8,11-13H2,1H3,(H,23,28)