N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-isopropoxyphenyl)thiazole-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-yloxyphenyl)-4-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide Traditional Name: 2-(4-isopropoxyphenyl)-N-piperonyl-thiazole-4-carboxamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=NC(=CS2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H20N2O4S/c1-13(2)27-16-6-4-15(5-7-16)21-23-17(11-28-21)20(24)22-10-14-3-8-18-19(9-14)26-12-25-18/h3-9,11,13H,10,12H2,1-2H3,(H,22,24)