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

Systemtic Name: 2-bromanyl-N-[1-[[2-(dimethylamino)pyridin-3-yl]methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]benzamide Openeye Name: 2-bromo-N-[1-[[2-(dimethylamino)-3-pyridyl]methylcarbamoyl]-3-methylsulfanyl-propyl]benzamide CAS Name: 2-bromo-N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-4-(methylthio)-1-oxobutan-2-yl]benzamide IUPAC Name: 2-bromo-N-[1-[[2-(dimethylamino)pyridin-3-yl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide Traditional Name: 2-bromo-N-[1-[[2-(dimethylamino)-3-pyridyl]methylcarbamoyl]-3-(methylthio)propyl]benzamide Formula: C20H25BrN4O2S MolecularWeight: 465.4071

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC=N1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CN(C)C1=C(C=CC=N1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C20H25BrN4O2S/c1-25(2)18-14(7-6-11-22-18)13-23-20(27)17(10-12-28-3)24-19(26)15-8-4-5-9-16(15)21/h4-9,11,17H,10,12-13H2,1-3H3,(H,23,27)(H,24,26)