N-(3-methylphenyl)-2-[(2-piperazin-1-ylethanoylamino)-pyridin-4-yl-methyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(3-methylphenyl)-2-[(2-piperazin-1-ylethanoylamino)-pyridin-4-yl-methyl]sulfanyl-pyridine-3-carboxamide Openeye Name: N-(m-tolyl)-2-[[(2-piperazin-1-ylacetyl)amino]-(4-pyridyl)methyl]sulfanyl-pyridine-3-carboxamide CAS Name: N-(3-methylphenyl)-2-[[[[1-oxo-2-(1-piperazinyl)ethyl]amino]-pyridin-4-ylmethyl]thio]-3-pyridinecarboxamide IUPAC Name: N-(3-methylphenyl)-2-[[(2-piperazin-1-ylacetyl)amino]-pyridin-4-ylmethyl]sulfanylpyridine-3-carboxamide Traditional Name: N-(m-tolyl)-2-[[[(2-piperazinoacetyl)amino]-(4-pyridyl)methyl]thio]nicotinamide Formula: C25H28N6O2S MolecularWeight: 476.59382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(N=CC=C2)SC(C3=CC=NC=C3)NC(=O)CN4CCNCC4

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(N=CC=C2)SC(C3=CC=NC=C3)NC(=O)CN4CCNCC4

InChI

InChI=1S/C25H28N6O2S/c1-18-4-2-5-20(16-18)29-23(33)21-6-3-9-28-25(21)34-24(19-7-10-26-11-8-19)30-22(32)17-31-14-12-27-13-15-31/h2-11,16,24,27H,12-15,17H2,1H3,(H,29,33)(H,30,32)