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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-cyanoethyl)-1-methyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-cyanoethyl)-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-cyanoethyl)-1-methylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-cyanoethyl)-1-methylthiourea Traditional Name: 1-(2-cyanoethyl)-1-methyl-3-piperonyl-thiourea Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CN(CCC#N)C(=S)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H15N3O2S/c1-16(6-2-5-14)13(19)15-8-10-3-4-11-12(7-10)18-9-17-11/h3-4,7H,2,6,8-9H2,1H3,(H,15,19)