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

Systemtic Name: (2R)-N-(4-azanylcyclohexyl)-4-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-thiophen-2-ylcarbonyl-piperidine-2-carboxamide Openeye Name: (2R)-N-(4-aminocyclohexyl)-4-[isobutyl-[(5-methyl-2-thienyl)methyl]amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide CAS Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methylpropyl-[(5-methyl-2-thiophenyl)methyl]amino]-1-[oxo(thiophen-2-yl)methyl]-2-piperidinecarboxamide IUPAC Name: (2R)-N-(4-aminocyclohexyl)-4-[2-methylpropyl-[(5-methylthiophen-2-yl)methyl]amino]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide Traditional Name: (2R)-N-(4-aminocyclohexyl)-4-[isobutyl-[(5-methyl-2-thienyl)methyl]amino]-1-(2-thenoyl)pipecolinamide Formula: C27H40N4O2S2 MolecularWeight: 516.7621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CC(C)C)C2CCN(C(C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(S1)CN(CC(C)C)C2CCN([C@H](C2)C(=O)NC3CCC(CC3)N)C(=O)C4=CC=CS4

InChI

InChI=1S/C27H40N4O2S2/c1-18(2)16-30(17-23-11-6-19(3)35-23)22-12-13-31(27(33)25-5-4-14-34-25)24(15-22)26(32)29-21-9-7-20(28)8-10-21/h4-6,11,14,18,20-22,24H,7-10,12-13,15-17,28H2,1-3H3,(H,29,32)/t20?,21?,22?,24-/m1/s1