N-[4-[[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]amino]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[[(2S)-1-[(2-bromanyl-4-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]amino]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[[(1S)-2-(2-bromo-4-methyl-anilino)-1-methyl-2-oxo-ethyl]amino]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[[(2S)-1-(2-bromo-4-methylanilino)-1-oxopropan-2-yl]amino]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[(1S)-2-(2-bromo-4-methyl-anilino)-2-keto-1-methyl-ethyl]amino]phenyl]cyclopropanecarboxamide Formula: C20H22BrN3O2 MolecularWeight: 416.31158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C(C)NC2=CC=C(C=C2)NC(=O)C3CC3)Br

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@H](C)NC2=CC=C(C=C2)NC(=O)C3CC3)Br

InChI

InChI=1S/C20H22BrN3O2/c1-12-3-10-18(17(21)11-12)24-19(25)13(2)22-15-6-8-16(9-7-15)23-20(26)14-4-5-14/h3,6-11,13-14,22H,4-5H2,1-2H3,(H,23,26)(H,24,25)/t13-/m0/s1