N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[3-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]butan-2-yl]ethanamide

Systemtic Name: N-[(2S)-4-methylsulfanyl-1-oxidanylidene-1-[3-[4-(phenylmethyl)-1H-pyrazol-5-yl]piperidin-1-yl]butan-2-yl]ethanamide Openeye Name: N-[(1S)-1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-3-methylsulfanyl-propyl]acetamide CAS Name: N-[(2S)-4-(methylthio)-1-oxo-1-[3-[4-(phenylmethyl)-1H-pyrazol-5-yl]-1-piperidinyl]butan-2-yl]acetamide IUPAC Name: N-[(2S)-1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]acetamide Traditional Name: N-[(1S)-1-[3-(4-benzyl-1H-pyrazol-5-yl)piperidine-1-carbonyl]-3-(methylthio)propyl]acetamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCSC)C(=O)N1CCCC(C1)C2=C(C=NN2)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)N[C@@H](CCSC)C(=O)N1CCCC(C1)C2=C(C=NN2)CC3=CC=CC=C3

InChI

InChI=1S/C22H30N4O2S/c1-16(27)24-20(10-12-29-2)22(28)26-11-6-9-18(15-26)21-19(14-23-25-21)13-17-7-4-3-5-8-17/h3-5,7-8,14,18,20H,6,9-13,15H2,1-2H3,(H,23,25)(H,24,27)/t18?,20-/m0/s1