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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloranyl-2,4-dimethoxy-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2,4-dimethoxy-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2,4-dimethoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2,4-dimethoxyphenyl)thiourea Traditional Name: 1-(5-chloro-2,4-dimethoxy-phenyl)-3-piperonyl-thiourea Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NCC2=CC3=C(C=C2)OCO3)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NCC2=CC3=C(C=C2)OCO3)Cl)OC

InChI

InChI=1S/C17H17ClN2O4S/c1-21-14-7-15(22-2)12(6-11(14)18)20-17(25)19-8-10-3-4-13-16(5-10)24-9-23-13/h3-7H,8-9H2,1-2H3,(H2,19,20,25)