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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloranyl-2-phenoxy-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-phenoxy-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-phenoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(5-chloro-2-phenoxyphenyl)thiourea Traditional Name: 1-(5-chloro-2-phenoxy-phenyl)-3-piperonyl-thiourea Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NC3=C(C=CC(=C3)Cl)OC4=CC=CC=C4

InChI

InChI=1S/C21H17ClN2O3S/c22-15-7-9-18(27-16-4-2-1-3-5-16)17(11-15)24-21(28)23-12-14-6-8-19-20(10-14)26-13-25-19/h1-11H,12-13H2,(H2,23,24,28)