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

Systemtic Name: N-[4-(2-azanylethylcarbamoyl)-2-methyl-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[4-(2-aminoethylcarbamoyl)-2-methyl-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-[(2-aminoethylamino)-oxomethyl]-2-methylphenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-(2-aminoethylcarbamoyl)-2-methylphenyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-(2-aminoethylcarbamoyl)-2-methyl-phenyl]-2-(phenylthio)nicotinamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NCCN)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NCCN)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O2S/c1-15-14-16(20(27)24-13-11-23)9-10-19(15)26-21(28)18-8-5-12-25-22(18)29-17-6-3-2-4-7-17/h2-10,12,14H,11,13,23H2,1H3,(H,24,27)(H,26,28)