N-[4-[4-(2-azanylethyl)-3-bromanyl-phenyl]-5-pyridin-4-yl-1,3-thiazol-2-yl]ethanamide

Systemtic Name: N-[4-[4-(2-azanylethyl)-3-bromanyl-phenyl]-5-pyridin-4-yl-1,3-thiazol-2-yl]ethanamide Openeye Name: N-[4-[4-(2-aminoethyl)-3-bromo-phenyl]-5-(4-pyridyl)thiazol-2-yl]acetamide CAS Name: N-[4-[4-(2-aminoethyl)-3-bromophenyl]-5-pyridin-4-yl-2-thiazolyl]acetamide IUPAC Name: N-[4-[4-(2-aminoethyl)-3-bromophenyl]-5-pyridin-4-yl-1,3-thiazol-2-yl]acetamide Traditional Name: N-[4-[4-(2-aminoethyl)-3-bromo-phenyl]-5-(4-pyridyl)thiazol-2-yl]acetamide Formula: C18H17BrN4OS MolecularWeight: 417.32278

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=C(S1)C2=CC=NC=C2)C3=CC(=C(C=C3)CCN)Br

Isomeric SMILES

CC(=O)NC1=NC(=C(S1)C2=CC=NC=C2)C3=CC(=C(C=C3)CCN)Br

InChI

InChI=1S/C18H17BrN4OS/c1-11(24)22-18-23-16(17(25-18)13-5-8-21-9-6-13)14-3-2-12(4-7-20)15(19)10-14/h2-3,5-6,8-10H,4,7,20H2,1H3,(H,22,23,24)