N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide Openeye Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(4-methylphenoxy)methyl]thiazole-4-carboxamide CAS Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(4-methylphenoxy)methyl]-4-thiazolecarboxamide IUPAC Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(4-methylphenoxy)methyl]-1,3-thiazole-4-carboxamide Traditional Name: N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[(4-methylphenoxy)methyl]thiazole-4-carboxamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)NC(C)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)OCC2=NC(=CS2)C(=O)NC(C)C3=CC4=C(C=C3)OCO4

InChI

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