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

Systemtic Name: N-[4-[2-[(4-bromanyl-3-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1,3-thiazol-2-yl]-4-methyl-piperazine-1-carboxamide Openeye Name: N-[4-[2-(4-bromo-3-methyl-anilino)-2-oxo-ethyl]thiazol-2-yl]-4-methyl-piperazine-1-carboxamide CAS Name: N-[4-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-2-thiazolyl]-4-methyl-1-piperazinecarboxamide IUPAC Name: N-[4-[2-(4-bromo-3-methylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]-4-methylpiperazine-1-carboxamide Traditional Name: N-[4-[2-(4-bromo-3-methyl-anilino)-2-keto-ethyl]thiazol-2-yl]-4-methyl-piperazine-1-carboxamide Formula: C18H22BrN5O2S MolecularWeight: 452.36858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrN5O2S/c1-12-9-13(3-4-15(12)19)20-16(25)10-14-11-27-17(21-14)22-18(26)24-7-5-23(2)6-8-24/h3-4,9,11H,5-8,10H2,1-2H3,(H,20,25)(H,21,22,26)