1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-homoveratryl-3-piperonyl-thiourea Formula: C19H22N2O4S MolecularWeight: 374.45398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NCC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NCC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C19H22N2O4S/c1-22-15-5-3-13(9-17(15)23-2)7-8-20-19(26)21-11-14-4-6-16-18(10-14)25-12-24-16/h3-6,9-10H,7-8,11-12H2,1-2H3,(H2,20,21,26)