3-(1,3-benzodioxol-5-ylmethyl)-1-(4-hydroxyphenyl)-1-methyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(4-hydroxyphenyl)-1-methyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(4-hydroxyphenyl)-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(4-hydroxyphenyl)-1-methylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(4-hydroxyphenyl)-1-methylthiourea Traditional Name: 1-(4-hydroxyphenyl)-1-methyl-3-piperonyl-thiourea Formula: C16H16N2O3S MolecularWeight: 316.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)O)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(C1=CC=C(C=C1)O)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H16N2O3S/c1-18(12-3-5-13(19)6-4-12)16(22)17-9-11-2-7-14-15(8-11)21-10-20-14/h2-8,19H,9-10H2,1H3,(H,17,22)