N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[4-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[[4-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[4-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl]methyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-[(2-amino-2-keto-ethyl)carbamoyl]benzyl]-2-(methylthio)nicotinamide Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NCC2=CC=C(C=C2)C(=O)NCC(=O)N

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NCC2=CC=C(C=C2)C(=O)NCC(=O)N

InChI

InChI=1S/C17H18N4O3S/c1-25-17-13(3-2-8-19-17)16(24)20-9-11-4-6-12(7-5-11)15(23)21-10-14(18)22/h2-8H,9-10H2,1H3,(H2,18,22)(H,20,24)(H,21,23)