6-(3,3-dimethylbutan-2-ylamino)-N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide

Systemtic Name: 6-(3,3-dimethylbutan-2-ylamino)-N-[5-[[3-(4-ethanoylpiperazin-1-yl)carbonylphenyl]methylsulfanyl]-1,3-thiazol-2-yl]pyridine-3-carboxamide Openeye Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]thiazol-2-yl]-6-(1,2,2-trimethylpropylamino)pyridine-3-carboxamide CAS Name: N-[5-[[3-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl]methylthio]-2-thiazolyl]-6-(3,3-dimethylbutan-2-ylamino)-3-pyridinecarboxamide IUPAC Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)phenyl]methylsulfanyl]-1,3-thiazol-2-yl]-6-(3,3-dimethylbutan-2-ylamino)pyridine-3-carboxamide Traditional Name: N-[5-[[3-(4-acetylpiperazine-1-carbonyl)benzyl]thio]thiazol-2-yl]-6-(1,2,2-trimethylpropylamino)nicotinamide Formula: C29H36N6O3S2 MolecularWeight: 580.76454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)NC1=NC=C(C=C1)C(=O)NC2=NC=C(S2)SCC3=CC=CC(=C3)C(=O)N4CCN(CC4)C(=O)C

Isomeric SMILES

CC(C(C)(C)C)NC1=NC=C(C=C1)C(=O)NC2=NC=C(S2)SCC3=CC=CC(=C3)C(=O)N4CCN(CC4)C(=O)C

InChI

InChI=1S/C29H36N6O3S2/c1-19(29(3,4)5)32-24-10-9-23(16-30-24)26(37)33-28-31-17-25(40-28)39-18-21-7-6-8-22(15-21)27(38)35-13-11-34(12-14-35)20(2)36/h6-10,15-17,19H,11-14,18H2,1-5H3,(H,30,32)(H,31,33,37)