3-bromanyl-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-propoxy-benzamide Openeye Name: 3-bromo-N-[4-(4-cyanophenyl)thiazol-2-yl]-5-methoxy-4-propoxy-benzamide CAS Name: 3-bromo-N-[4-(4-cyanophenyl)-2-thiazolyl]-5-methoxy-4-propoxybenzamide IUPAC Name: 3-bromo-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-5-methoxy-4-propoxybenzamide Traditional Name: 3-bromo-N-[4-(4-cyanophenyl)thiazol-2-yl]-5-methoxy-4-propoxy-benzamide Formula: C21H18BrN3O3S MolecularWeight: 472.35492

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C#N)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C21H18BrN3O3S/c1-3-8-28-19-16(22)9-15(10-18(19)27-2)20(26)25-21-24-17(12-29-21)14-6-4-13(11-23)5-7-14/h4-7,9-10,12H,3,8H2,1-2H3,(H,24,25,26)