1-(1,3-benzodioxol-5-ylmethyl)-3-[4-chloranyl-2-(phenylcarbonyl)phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[4-chloranyl-2-(phenylcarbonyl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-benzoyl-4-chloro-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-benzoyl-4-chlorophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-benzoyl-4-chlorophenyl)thiourea Traditional Name: 1-(2-benzoyl-4-chloro-phenyl)-3-piperonyl-thiourea Formula: C22H17ClN2O3S MolecularWeight: 424.89998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17ClN2O3S/c23-16-7-8-18(17(11-16)21(26)15-4-2-1-3-5-15)25-22(29)24-12-14-6-9-19-20(10-14)28-13-27-19/h1-11H,12-13H2,(H2,24,25,29)