2-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide

Systemtic Name: 2-[(4-chloranyl-3-methyl-phenoxy)methyl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide Openeye Name: 2-[(4-chloro-3-methyl-phenoxy)methyl]-4-methyl-N-(1-phenylethyl)thiazole-5-carboxamide CAS Name: 2-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-N-(1-phenylethyl)-5-thiazolecarboxamide IUPAC Name: 2-[(4-chloro-3-methylphenoxy)methyl]-4-methyl-N-(1-phenylethyl)-1,3-thiazole-5-carboxamide Traditional Name: 2-[(4-chloro-3-methyl-phenoxy)methyl]-4-methyl-N-(1-phenylethyl)thiazole-5-carboxamide Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC(=C(S2)C(=O)NC(C)C3=CC=CC=C3)C)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC(=C(S2)C(=O)NC(C)C3=CC=CC=C3)C)Cl

InChI

InChI=1S/C21H21ClN2O2S/c1-13-11-17(9-10-18(13)22)26-12-19-23-15(3)20(27-19)21(25)24-14(2)16-7-5-4-6-8-16/h4-11,14H,12H2,1-3H3,(H,24,25)