1-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethylphenyl)-1-methyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethylphenyl)-1-methyl-thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethylphenyl)-1-methyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethylphenyl)-1-methylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-ethylphenyl)-1-methylthiourea Traditional Name: 3-(2-ethylphenyl)-1-methyl-1-piperonyl-thiourea Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N(C)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N(C)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O2S/c1-3-14-6-4-5-7-15(14)19-18(23)20(2)11-13-8-9-16-17(10-13)22-12-21-16/h4-10H,3,11-12H2,1-2H3,(H,19,23)