N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-2-propan-2-ylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-2-propan-2-ylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[4-(4-ethylpiperazin-1-yl)-3-methyl-phenyl]-2-isopropylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)-3-methylphenyl]-2-(propan-2-ylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-(4-ethylpiperazino)-3-methyl-phenyl]-2-(isopropylthio)nicotinamide Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC(C)C)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)NC(=O)C3=C(N=CC=C3)SC(C)C)C

InChI

InChI=1S/C22H30N4OS/c1-5-25-11-13-26(14-12-25)20-9-8-18(15-17(20)4)24-21(27)19-7-6-10-23-22(19)28-16(2)3/h6-10,15-16H,5,11-14H2,1-4H3,(H,24,27)