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

Systemtic Name: N-[4-(2-azanylethylcarbamoyl)-3-chloranyl-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[4-(2-aminoethylcarbamoyl)-3-chloro-phenyl]-2-phenylsulfanyl-pyridine-3-carboxamide CAS Name: N-[4-[(2-aminoethylamino)-oxomethyl]-3-chlorophenyl]-2-(phenylthio)-3-pyridinecarboxamide IUPAC Name: N-[4-(2-aminoethylcarbamoyl)-3-chlorophenyl]-2-phenylsulfanylpyridine-3-carboxamide Traditional Name: N-[4-(2-aminoethylcarbamoyl)-3-chloro-phenyl]-2-(phenylthio)nicotinamide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC(=C(C=C3)C(=O)NCCN)Cl

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=CC(=C(C=C3)C(=O)NCCN)Cl

InChI

InChI=1S/C21H19ClN4O2S/c22-18-13-14(8-9-16(18)19(27)24-12-10-23)26-20(28)17-7-4-11-25-21(17)29-15-5-2-1-3-6-15/h1-9,11,13H,10,12,23H2,(H,24,27)(H,26,28)