1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-chlorophenyl)sulfanylethyl]-1-methyl-thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1)OCO2)C(=S)NCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

CN(CC1=CC2=C(C=C1)OCO2)C(=S)NCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H19ClN2O2S2/c1-21(11-13-2-7-16-17(10-13)23-12-22-16)18(24)20-8-9-25-15-5-3-14(19)4-6-15/h2-7,10H,8-9,11-12H2,1H3,(H,20,24)