2-bromanyl-N-[(2S)-3-methyl-1-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]amino]-1-oxidanylidene-butan-2-yl]benzamide

Systemtic Name: 2-bromanyl-N-[(2S)-3-methyl-1-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]amino]-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[(1S)-2-methyl-1-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]carbamoyl]propyl]benzamide CAS Name: 2-bromo-N-[(2S)-3-methyl-1-[4-[(1-methyl-2-imidazolyl)thio]anilino]-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[(2S)-3-methyl-1-[4-(1-methylimidazol-2-yl)sulfanylanilino]-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[(1S)-2-methyl-1-[[4-[(1-methylimidazol-2-yl)thio]phenyl]carbamoyl]propyl]benzamide Formula: C22H23BrN4O2S MolecularWeight: 487.41262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)SC2=NC=CN2C)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC=C(C=C1)SC2=NC=CN2C)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C22H23BrN4O2S/c1-14(2)19(26-20(28)17-6-4-5-7-18(17)23)21(29)25-15-8-10-16(11-9-15)30-22-24-12-13-27(22)3/h4-14,19H,1-3H3,(H,25,29)(H,26,28)/t19-/m0/s1