3-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1-methyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1-methyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1-methylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-butyl-1-methylthiourea Traditional Name: 1-butyl-1-methyl-3-piperonyl-thiourea Formula: C14H20N2O2S MolecularWeight: 280.3858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCN(C)C(=S)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H20N2O2S/c1-3-4-7-16(2)14(19)15-9-11-5-6-12-13(8-11)18-10-17-12/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,15,19)