N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyridin-2-ylcarbonylpiperazin-1-yl)butan-2-yl]thiophene-2-carboxamide

Systemtic Name: N-[(2S)-3-methyl-1-oxidanylidene-1-(4-pyridin-2-ylcarbonylpiperazin-1-yl)butan-2-yl]thiophene-2-carboxamide Openeye Name: N-[(1S)-2-methyl-1-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]propyl]thiophene-2-carboxamide CAS Name: N-[(2S)-3-methyl-1-oxo-1-[4-[oxo(2-pyridinyl)methyl]-1-piperazinyl]butan-2-yl]-2-thiophenecarboxamide IUPAC Name: N-[(2S)-3-methyl-1-oxo-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]butan-2-yl]thiophene-2-carboxamide Traditional Name: N-[(1S)-2-methyl-1-(4-picolinoylpiperazine-1-carbonyl)propyl]thiophene-2-carboxamide Formula: C20H24N4O3S MolecularWeight: 400.49456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C(=O)C2=CC=CC=N2)NC(=O)C3=CC=CS3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCN(CC1)C(=O)C2=CC=CC=N2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H24N4O3S/c1-14(2)17(22-18(25)16-7-5-13-28-16)20(27)24-11-9-23(10-12-24)19(26)15-6-3-4-8-21-15/h3-8,13-14,17H,9-12H2,1-2H3,(H,22,25)/t17-/m0/s1