3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-ethoxyphenyl)methyl]-1-methyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-ethoxyphenyl)methyl]-1-methyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-ethoxyphenyl)methyl]-1-methyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-ethoxyphenyl)methyl]-1-methylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-[(4-ethoxyphenyl)methyl]-1-methylthiourea Traditional Name: 1-(4-ethoxybenzyl)-1-methyl-3-piperonyl-thiourea Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H22N2O3S/c1-3-22-16-7-4-14(5-8-16)12-21(2)19(25)20-11-15-6-9-17-18(10-15)24-13-23-17/h4-10H,3,11-13H2,1-2H3,(H,20,25)