N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-3-butoxy-benzamide

Systemtic Name: N-[4-(3-bromanyl-4-methoxy-phenyl)-1,3-thiazol-2-yl]-3-butoxy-benzamide Openeye Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-3-butoxy-benzamide CAS Name: N-[4-(3-bromo-4-methoxyphenyl)-2-thiazolyl]-3-butoxybenzamide IUPAC Name: N-[4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-butoxybenzamide Traditional Name: N-[4-(3-bromo-4-methoxy-phenyl)thiazol-2-yl]-3-butoxy-benzamide Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C21H21BrN2O3S/c1-3-4-10-27-16-7-5-6-15(11-16)20(25)24-21-23-18(13-28-21)14-8-9-19(26-2)17(22)12-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,23,24,25)