2-[[1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide

Systemtic Name: 2-[[1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide Openeye Name: 2-[[1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-N-cyclopropyl-thiazole-4-carboxamide CAS Name: 2-[[1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-N-cyclopropyl-4-thiazolecarboxamide IUPAC Name: 2-[[1,3-benzodioxol-5-ylmethyl-[2-(3,4-dimethoxyphenyl)ethyl]amino]methyl]-N-cyclopropyl-1,3-thiazole-4-carboxamide Traditional Name: N-cyclopropyl-2-[[homoveratryl(piperonyl)amino]methyl]thiazole-4-carboxamide Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN(CC2=CC3=C(C=C2)OCO3)CC4=NC(=CS4)C(=O)NC5CC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN(CC2=CC3=C(C=C2)OCO3)CC4=NC(=CS4)C(=O)NC5CC5)OC

InChI

InChI=1S/C26H29N3O5S/c1-31-21-7-3-17(11-23(21)32-2)9-10-29(13-18-4-8-22-24(12-18)34-16-33-22)14-25-28-20(15-35-25)26(30)27-19-5-6-19/h3-4,7-8,11-12,15,19H,5-6,9-10,13-14,16H2,1-2H3,(H,27,30)