(2R)-N-(2-azanylethyl)-4-[bis(2-methylpropyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[bis(2-methylpropyl)amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(2-aminoethyl)-4-(diisobutylamino)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(2-aminoethyl)-4-[bis(2-methylpropyl)amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(2-aminoethyl)-4-[bis(2-methylpropyl)amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(2-aminoethyl)-4-(diisobutylamino)-1-(2-thenoyl)pipecolinamide Formula: C21H36N4O2S MolecularWeight: 408.60114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(C)C)C1CCN(C(C1)C(=O)NCCN)C(=O)C2=CC=CS2

Isomeric SMILES

CC(C)CN(CC(C)C)C1CCN([C@H](C1)C(=O)NCCN)C(=O)C2=CC=CS2

InChI

InChI=1S/C21H36N4O2S/c1-15(2)13-24(14-16(3)4)17-7-10-25(21(27)19-6-5-11-28-19)18(12-17)20(26)23-9-8-22/h5-6,11,15-18H,7-10,12-14,22H2,1-4H3,(H,23,26)/t17?,18-/m1/s1