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

Systemtic Name: N-[1-[[2-(dimethylamino)pyridin-3-yl]methylamino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide Openeye Name: N-[1-[[2-(dimethylamino)-3-pyridyl]methylcarbamoyl]-3-methylsulfanyl-propyl]-2-methoxy-benzamide CAS Name: N-[1-[[2-(dimethylamino)-3-pyridinyl]methylamino]-4-(methylthio)-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[1-[[2-(dimethylamino)pyridin-3-yl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: N-[1-[[2-(dimethylamino)-3-pyridyl]methylcarbamoyl]-3-(methylthio)propyl]-2-methoxy-benzamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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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=C2OC

Isomeric SMILES

CN(C)C1=C(C=CC=N1)CNC(=O)C(CCSC)NC(=O)C2=CC=CC=C2OC

InChI

InChI=1S/C21H28N4O3S/c1-25(2)19-15(8-7-12-22-19)14-23-21(27)17(11-13-29-4)24-20(26)16-9-5-6-10-18(16)28-3/h5-10,12,17H,11,13-14H2,1-4H3,(H,23,27)(H,24,26)