N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(piperidin-4-ylamino)-1,3-thiazol-4-yl]benzamide; methanesulfonic acid

Systemtic Name: N-[1-(cyanomethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(piperidin-4-ylamino)-1,3-thiazol-4-yl]benzamide; methanesulfonic acid Openeye Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[2-(4-piperidylamino)thiazol-4-yl]benzamide; methanesulfonic acid CAS Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[2-(4-piperidinylamino)-4-thiazolyl]benzamide; methanesulfonic acid IUPAC Name: N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-4-[2-(piperidin-4-ylamino)-1,3-thiazol-4-yl]benzamide; methanesulfonic acid Traditional Name: N-[1-(cyanomethylcarbamoyl)-3-methyl-butyl]-4-[2-(4-piperidylamino)thiazol-4-yl]benzamide; mesylic acid Formula: C24H34N6O5S2 MolecularWeight: 550.69396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC3CCNCC3.CS(=O)(=O)O

Isomeric SMILES

CC(C)CC(C(=O)NCC#N)NC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC3CCNCC3.CS(=O)(=O)O

InChI

InChI=1S/C23H30N6O2S.CH4O3S/c1-15(2)13-19(22(31)26-12-9-24)28-21(30)17-5-3-16(4-6-17)20-14-32-23(29-20)27-18-7-10-25-11-8-18;1-5(2,3)4/h3-6,14-15,18-19,25H,7-8,10-13H2,1-2H3,(H,26,31)(H,27,29)(H,28,30);1H3,(H,2,3,4)