N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)-4-methyl-thiazole-5-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)-4-methyl-5-thiazolecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide Traditional Name: 4-methyl-N-piperonyl-2-p-phenetyl-thiazole-5-carboxamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C(S2)C(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C21H20N2O4S/c1-3-25-16-7-5-15(6-8-16)21-23-13(2)19(28-21)20(24)22-11-14-4-9-17-18(10-14)27-12-26-17/h4-10H,3,11-12H2,1-2H3,(H,22,24)