N-(4-tert-butylphenyl)-2-[1-[2-(2-chloranylethanoylamino)pyridin-4-yl]ethylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[1-[2-(2-chloranylethanoylamino)pyridin-4-yl]ethylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(4-tert-butylphenyl)-2-[1-[2-[(2-chloroacetyl)amino]-4-pyridyl]ethylsulfanyl]pyridine-3-carboxamide CAS Name: N-(4-tert-butylphenyl)-2-[1-[2-[(2-chloro-1-oxoethyl)amino]-4-pyridinyl]ethylthio]-3-pyridinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-2-[1-[2-[(2-chloroacetyl)amino]pyridin-4-yl]ethylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(4-tert-butylphenyl)-2-[1-[2-[(2-chloroacetyl)amino]-4-pyridyl]ethylthio]nicotinamide Formula: C25H27ClN4O2S MolecularWeight: 483.02548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=NC=C1)NC(=O)CCl)SC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C1=CC(=NC=C1)NC(=O)CCl)SC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C25H27ClN4O2S/c1-16(17-11-13-27-21(14-17)30-22(31)15-26)33-24-20(6-5-12-28-24)23(32)29-19-9-7-18(8-10-19)25(2,3)4/h5-14,16H,15H2,1-4H3,(H,29,32)(H,27,30,31)