N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[[[(2S)-butan-2-yl]amino]-oxomethyl]-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-[[(2S)-butan-2-yl]carbamoyl]-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[[(1S)-1-methylpropyl]carbamoyl]-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H28N6O2S MolecularWeight: 416.54032

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C20H28N6O2S/c1-3-15(2)21-18(28)22-17(27)14-29-20-24-23-19(25-12-8-5-9-13-25)26(20)16-10-6-4-7-11-16/h4,6-7,10-11,15H,3,5,8-9,12-14H2,1-2H3,(H2,21,22,27,28)/t15-/m0/s1