N-[4-[1-[(4-azanylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl]phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[4-[1-[(4-azanylcyclohexyl)amino]-1-oxidanylidene-propan-2-yl]phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[4-[2-[(4-aminocyclohexyl)amino]-1-methyl-2-oxo-ethyl]phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]phenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-[1-[(4-aminocyclohexyl)amino]-1-oxopropan-2-yl]phenyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-[2-[(4-aminocyclohexyl)amino]-2-keto-1-methyl-ethyl]phenyl]-2-(phenylthio)nicotinamide Formula: C27H30N4O2S MolecularWeight: 474.6177

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C(=O)NC4CCC(CC4)N

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C(=O)NC4CCC(CC4)N

InChI

InChI=1S/C27H30N4O2S/c1-18(25(32)30-22-15-11-20(28)12-16-22)19-9-13-21(14-10-19)31-26(33)24-8-5-17-29-27(24)34-23-6-3-2-4-7-23/h2-10,13-14,17-18,20,22H,11-12,15-16,28H2,1H3,(H,30,32)(H,31,33)