1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloranyl-4-methyl-phenyl)-1-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloranyl-4-methyl-phenyl)-1-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-methyl-phenyl)-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-methylphenyl)-1-(2-oxolanylmethyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3-chloro-4-methylphenyl)-1-(oxolan-2-ylmethyl)thiourea Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-piperonyl-1-(tetrahydrofurfuryl)thiourea Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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