(2R)-N-(4-azanylcyclohexyl)-4-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[(5-methylthiophen-2-yl)methyl-phenethyl-amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[(5-methyl-2-thienyl)methyl-phenethyl-amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[(5-methyl-2-thiophenyl)methyl-phenethylamino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[(5-methylthiophen-2-yl)methyl-phenethylamino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[(5-methyl-2-thienyl)methyl-phenethyl-amino]-1-(2-thenoyl)pipecolinamide Formula: C31H40N4O2S2 MolecularWeight: 564.8049

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C3CCN(C(C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC=CS5

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)C3CCN([C@H](C3)C(=O)NC4CCC(CC4)N)C(=O)C5=CC=CS5

InChI

InChI=1S/C31H40N4O2S2/c1-22-9-14-27(39-22)21-34(17-15-23-6-3-2-4-7-23)26-16-18-35(31(37)29-8-5-19-38-29)28(20-26)30(36)33-25-12-10-24(32)11-13-25/h2-9,14,19,24-26,28H,10-13,15-18,20-21,32H2,1H3,(H,33,36)/t24?,25?,26?,28-/m1/s1