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

Systemtic Name: N-[(2-methylphenyl)methyl]-3-[2-[(5S)-4-oxidanylidene-2-piperidin-1-yl-1,3-thiazol-5-yl]ethanoylamino]benzamide Openeye Name: N-(o-tolylmethyl)-3-[[2-[(5S)-4-oxo-2-(1-piperidyl)thiazol-5-yl]acetyl]amino]benzamide CAS Name: N-[(2-methylphenyl)methyl]-3-[[1-oxo-2-[(5S)-4-oxo-2-(1-piperidinyl)-5-thiazolyl]ethyl]amino]benzamide IUPAC Name: N-[(2-methylphenyl)methyl]-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-(2-methylbenzyl)benzamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)NC(=O)CC3C(=O)N=C(S3)N4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)C2=CC(=CC=C2)NC(=O)C[C@H]3C(=O)N=C(S3)N4CCCCC4

InChI

InChI=1S/C25H28N4O3S/c1-17-8-3-4-9-19(17)16-26-23(31)18-10-7-11-20(14-18)27-22(30)15-21-24(32)28-25(33-21)29-12-5-2-6-13-29/h3-4,7-11,14,21H,2,5-6,12-13,15-16H2,1H3,(H,26,31)(H,27,30)/t21-/m0/s1