3-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-1-methyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-1-methyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-1-methylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-1-methylthiourea Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-1-methyl-thiourea Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=S)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CN(CCC#N)C(=S)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C12H13N3O2S/c1-15(6-2-5-13)12(18)14-9-3-4-10-11(7-9)17-8-16-10/h3-4,7H,2,6,8H2,1H3,(H,14,18)