N-[(2S)-butan-2-yl]-3-[2-[(5S)-4-oxidanylidene-2-piperidin-1-yl-1,3-thiazol-5-yl]ethanoylamino]benzamide

Systemtic Name: N-[(2S)-butan-2-yl]-3-[2-[(5S)-4-oxidanylidene-2-piperidin-1-yl-1,3-thiazol-5-yl]ethanoylamino]benzamide Openeye Name: N-[(1S)-1-methylpropyl]-3-[[2-[(5S)-4-oxo-2-(1-piperidyl)thiazol-5-yl]acetyl]amino]benzamide CAS Name: N-[(2S)-butan-2-yl]-3-[[1-oxo-2-[(5S)-4-oxo-2-(1-piperidinyl)-5-thiazolyl]ethyl]amino]benzamide IUPAC Name: N-[(2S)-butan-2-yl]-3-[[2-[(5S)-4-oxo-2-piperidin-1-yl-1,3-thiazol-5-yl]acetyl]amino]benzamide Traditional Name: 3-[[2-[(5S)-4-keto-2-piperidino-2-thiazolin-5-yl]acetyl]amino]-N-[(1S)-1-methylpropyl]benzamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC(=CC=C1)NC(=O)CC2C(=O)N=C(S2)N3CCCCC3

Isomeric SMILES

CC[C@H](C)NC(=O)C1=CC(=CC=C1)NC(=O)C[C@H]2C(=O)N=C(S2)N3CCCCC3

InChI

InChI=1S/C21H28N4O3S/c1-3-14(2)22-19(27)15-8-7-9-16(12-15)23-18(26)13-17-20(28)24-21(29-17)25-10-5-4-6-11-25/h7-9,12,14,17H,3-6,10-11,13H2,1-2H3,(H,22,27)(H,23,26)/t14-,17-/m0/s1