1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(4-chlorophenyl)methylthio]ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]thiourea Traditional Name: 1-[2-[(4-chlorobenzyl)thio]ethyl]-3-piperonyl-thiourea Formula: C18H19ClN2O2S2 MolecularWeight: 394.93866

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCCSCC3=CC=C(C=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCCSCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H19ClN2O2S2/c19-15-4-1-13(2-5-15)11-25-8-7-20-18(24)21-10-14-3-6-16-17(9-14)23-12-22-16/h1-6,9H,7-8,10-12H2,(H2,20,21,24)