(2R)-4-(1-methylpyrrol-2-yl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-thiophen-2-ylcarbonyl-piperazine-2-carboxamide

Systemtic Name: (2R)-4-(1-methylpyrrol-2-yl)carbonyl-N-[(3S)-2-oxidanylidenepiperidin-3-yl]-1-thiophen-2-ylcarbonyl-piperazine-2-carboxamide Openeye Name: (2R)-4-(1-methylpyrrole-2-carbonyl)-N-[(3S)-2-oxo-3-piperidyl]-1-(thiophene-2-carbonyl)piperazine-2-carboxamide CAS Name: (2R)-4-[(1-methyl-2-pyrrolyl)-oxomethyl]-N-[(3S)-2-oxo-3-piperidinyl]-1-[oxo(thiophen-2-yl)methyl]-2-piperazinecarboxamide IUPAC Name: (2R)-4-(1-methylpyrrole-2-carbonyl)-N-[(3S)-2-oxopiperidin-3-yl]-1-(thiophene-2-carbonyl)piperazine-2-carboxamide Traditional Name: (2R)-N-[(3S)-2-keto-3-piperidyl]-4-(1-methylpyrrole-2-carbonyl)-1-(2-thenoyl)piperazine-2-carboxamide Formula: C21H25N5O4S MolecularWeight: 443.5193

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(=O)N2CCN(C(C2)C(=O)NC3CCCNC3=O)C(=O)C4=CC=CS4

Isomeric SMILES

CN1C=CC=C1C(=O)N2CCN([C@H](C2)C(=O)N[C@H]3CCCNC3=O)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H25N5O4S/c1-24-9-3-6-15(24)20(29)25-10-11-26(21(30)17-7-4-12-31-17)16(13-25)19(28)23-14-5-2-8-22-18(14)27/h3-4,6-7,9,12,14,16H,2,5,8,10-11,13H2,1H3,(H,22,27)(H,23,28)/t14-,16+/m0/s1