2-[(3-bromophenyl)methylsulfanyl]-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridine-3-carboxamide

Systemtic Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridine-3-carboxamide Openeye Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[4-(isopropylcarbamoylamino)phenyl]pyridine-3-carboxamide CAS Name: 2-[(3-bromophenyl)methylthio]-N-[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]-3-pyridinecarboxamide IUPAC Name: 2-[(3-bromophenyl)methylsulfanyl]-N-[4-(propan-2-ylcarbamoylamino)phenyl]pyridine-3-carboxamide Traditional Name: 2-[(3-bromobenzyl)thio]-N-[4-(isopropylcarbamoylamino)phenyl]nicotinamide Formula: C23H23BrN4O2S MolecularWeight: 499.42332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=CC=C3)Br

InChI

InChI=1S/C23H23BrN4O2S/c1-15(2)26-23(30)28-19-10-8-18(9-11-19)27-21(29)20-7-4-12-25-22(20)31-14-16-5-3-6-17(24)13-16/h3-13,15H,14H2,1-2H3,(H,27,29)(H2,26,28,30)