1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(3,4-dimethoxyphenyl)thiourea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-piperonyl-thiourea Formula: C17H18N2O4S MolecularWeight: 346.40082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4S/c1-20-13-6-4-12(8-15(13)21-2)19-17(24)18-9-11-3-5-14-16(7-11)23-10-22-14/h3-8H,9-10H2,1-2H3,(H2,18,19,24)