N-[4-[(4-azanylcyclohexyl)carbamoyl]-2-methyl-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[4-[(4-azanylcyclohexyl)carbamoyl]-2-methyl-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methyl-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-[[(4-aminocyclohexyl)amino]-oxomethyl]-2-methylphenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methylphenyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-[(4-aminocyclohexyl)carbamoyl]-2-methyl-phenyl]-2-(phenylthio)nicotinamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2CCC(CC2)N)NC(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C26H28N4O2S/c1-17-16-18(24(31)29-20-12-10-19(27)11-13-20)9-14-23(17)30-25(32)22-8-5-15-28-26(22)33-21-6-3-2-4-7-21/h2-9,14-16,19-20H,10-13,27H2,1H3,(H,29,31)(H,30,32)