2-(1,3-benzodioxol-5-ylcarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide Openeye Name: 2-(1,3-benzodioxole-5-carbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-thiazolecarboxamide IUPAC Name: 2-(1,3-benzodioxole-5-carbonylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide Traditional Name: N-homoveratryl-2-(piperonyloylamino)thiazole-4-carboxamide Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CSC(=N2)NC(=O)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C22H21N3O6S/c1-28-16-5-3-13(9-18(16)29-2)7-8-23-21(27)15-11-32-22(24-15)25-20(26)14-4-6-17-19(10-14)31-12-30-17/h3-6,9-11H,7-8,12H2,1-2H3,(H,23,27)(H,24,25,26)