N-[4-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-4-pyridin-2-yl-piperazine-1-carboxamide

Systemtic Name: N-[4-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-4-pyridin-2-yl-piperazine-1-carboxamide Openeye Name: N-[4-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]thiazol-2-yl]-4-(2-pyridyl)piperazine-1-carboxamide CAS Name: N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-2-thiazolyl]-4-(2-pyridinyl)-1-piperazinecarboxamide IUPAC Name: N-[4-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-pyridin-2-ylpiperazine-1-carboxamide Traditional Name: N-[4-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]thiazol-2-yl]-4-(2-pyridyl)piperazine-1-carboxamide Formula: C22H23BrN6O2S MolecularWeight: 515.42602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CC2=CSC(=N2)NC(=O)N3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CC2=CSC(=N2)NC(=O)N3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C22H23BrN6O2S/c1-15-12-16(23)5-6-18(15)26-20(30)13-17-14-32-21(25-17)27-22(31)29-10-8-28(9-11-29)19-4-2-3-7-24-19/h2-7,12,14H,8-11,13H2,1H3,(H,26,30)(H,25,27,31)