N-[(2S)-1-(benzotriazol-1-yl)-3-methyl-butan-2-yl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide

Systemtic Name: N-[(2S)-1-(benzotriazol-1-yl)-3-methyl-butan-2-yl]-1-thiophen-2-ylcarbonyl-piperidine-4-carboxamide Openeye Name: N-[(1S)-1-(benzotriazol-1-ylmethyl)-2-methyl-propyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide CAS Name: N-[(2S)-1-(1-benzotriazolyl)-3-methylbutan-2-yl]-1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-[(2S)-1-(benzotriazol-1-yl)-3-methylbutan-2-yl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide Traditional Name: N-[(1S)-1-(benzotriazol-1-ylmethyl)-2-methyl-propyl]-1-(2-thenoyl)isonipecotamide Formula: C22H27N5O2S MolecularWeight: 425.54708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CN1C2=CC=CC=C2N=N1)NC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC(C)[C@@H](CN1C2=CC=CC=C2N=N1)NC(=O)C3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H27N5O2S/c1-15(2)18(14-27-19-7-4-3-6-17(19)24-25-27)23-21(28)16-9-11-26(12-10-16)22(29)20-8-5-13-30-20/h3-8,13,15-16,18H,9-12,14H2,1-2H3,(H,23,28)/t18-/m1/s1