(2R)-N-(2-azanylethyl)-4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-ethanoyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(2-azanylethyl)-4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-1-ethanoyl-piperidine-2-carboxamide Openeye Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[cyclohexylmethyl(2-thienylmethyl)amino]piperidine-2-carboxamide CAS Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]-2-piperidinecarboxamide IUPAC Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[cyclohexylmethyl(thiophen-2-ylmethyl)amino]piperidine-2-carboxamide Traditional Name: (2R)-1-acetyl-N-(2-aminoethyl)-4-[cyclohexylmethyl(2-thenyl)amino]pipecolinamide Formula: C22H36N4O2S MolecularWeight: 420.61184

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1C(=O)NCCN)N(CC2CCCCC2)CC3=CC=CS3

Isomeric SMILES

CC(=O)N1CCC(C[C@@H]1C(=O)NCCN)N(CC2CCCCC2)CC3=CC=CS3

InChI

InChI=1S/C22H36N4O2S/c1-17(27)26-12-9-19(14-21(26)22(28)24-11-10-23)25(16-20-8-5-13-29-20)15-18-6-3-2-4-7-18/h5,8,13,18-19,21H,2-4,6-7,9-12,14-16,23H2,1H3,(H,24,28)/t19?,21-/m1/s1