N-[1-(methylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylamino)benzamide

Systemtic Name: N-[1-(methylamino)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylamino)benzamide Openeye Name: N-[1-(methylcarbamoyl)-3-methylsulfanyl-propyl]-2-phenyl-4-(3-pyridylmethylamino)benzamide CAS Name: N-[1-(methylamino)-4-(methylthio)-1-oxobutan-2-yl]-2-phenyl-4-(3-pyridinylmethylamino)benzamide IUPAC Name: N-[1-(methylamino)-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenyl-4-(pyridin-3-ylmethylamino)benzamide Traditional Name: N-[1-(methylcarbamoyl)-3-(methylthio)propyl]-2-phenyl-4-(3-pyridylmethylamino)benzamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CNC(=O)C(CCSC)NC(=O)C1=C(C=C(C=C1)NCC2=CN=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H28N4O2S/c1-26-25(31)23(12-14-32-2)29-24(30)21-11-10-20(28-17-18-7-6-13-27-16-18)15-22(21)19-8-4-3-5-9-19/h3-11,13,15-16,23,28H,12,14,17H2,1-2H3,(H,26,31)(H,29,30)