N-[(1S,2R)-2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-4-[2-(piperidin-4-ylamino)-1,3-thiazol-4-yl]benzamide

Systemtic Name: N-[(1S,2R)-2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-4-[2-(piperidin-4-ylamino)-1,3-thiazol-4-yl]benzamide Openeye Name: N-[(1S,2R)-2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-4-[2-(4-piperidylamino)thiazol-4-yl]benzamide CAS Name: N-[(1S,2R)-2-[[[cyano(cyclopropyl)methyl]amino]-oxomethyl]cyclohexyl]-4-[2-(4-piperidinylamino)-4-thiazolyl]benzamide IUPAC Name: N-[(1S,2R)-2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-4-[2-(piperidin-4-ylamino)-1,3-thiazol-4-yl]benzamide Traditional Name: N-[(1S,2R)-2-[[cyano(cyclopropyl)methyl]carbamoyl]cyclohexyl]-4-[2-(4-piperidylamino)thiazol-4-yl]benzamide Formula: C27H34N6O2S MolecularWeight: 506.66286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC(C#N)C2CC2)NC(=O)C3=CC=C(C=C3)C4=CSC(=N4)NC5CCNCC5

Isomeric SMILES

C1CC[C@@H]([C@@H](C1)C(=O)NC(C#N)C2CC2)NC(=O)C3=CC=C(C=C3)C4=CSC(=N4)NC5CCNCC5

InChI

InChI=1S/C27H34N6O2S/c28-15-23(17-5-6-17)32-26(35)21-3-1-2-4-22(21)31-25(34)19-9-7-18(8-10-19)24-16-36-27(33-24)30-20-11-13-29-14-12-20/h7-10,16-17,20-23,29H,1-6,11-14H2,(H,30,33)(H,31,34)(H,32,35)/t21-,22+,23?/m1/s1