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

Systemtic Name: 1-(1,3-benzodioxol-5-ylcarbonylamino)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea CAS Name: 1-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxole-5-carbonylamino)-3-[2-(3,4-dimethoxyphenyl)ethyl]thiourea Traditional Name: 1-homoveratryl-3-(piperonyloylamino)thiourea Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5S/c1-24-14-5-3-12(9-16(14)25-2)7-8-20-19(28)22-21-18(23)13-4-6-15-17(10-13)27-11-26-15/h3-6,9-10H,7-8,11H2,1-2H3,(H,21,23)(H2,20,22,28)