2-methoxy-N-[4-methylsulfanyl-1-oxidanylidene-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]butan-2-yl]benzamide

Systemtic Name: 2-methoxy-N-[4-methylsulfanyl-1-oxidanylidene-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]butan-2-yl]benzamide Openeye Name: 2-methoxy-N-[3-methylsulfanyl-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylcarbamoyl]propyl]benzamide CAS Name: 2-methoxy-N-[4-(methylthio)-1-oxo-1-[[2-(1-pyrrolidinylmethyl)phenyl]methylamino]butan-2-yl]benzamide IUPAC Name: 2-methoxy-N-[4-methylsulfanyl-1-oxo-1-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]butan-2-yl]benzamide Traditional Name: 2-methoxy-N-[3-(methylthio)-1-[[2-(pyrrolidinomethyl)benzyl]carbamoyl]propyl]benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCC2=CC=CC=C2CN3CCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NCC2=CC=CC=C2CN3CCCC3

InChI

InChI=1S/C25H33N3O3S/c1-31-23-12-6-5-11-21(23)24(29)27-22(13-16-32-2)25(30)26-17-19-9-3-4-10-20(19)18-28-14-7-8-15-28/h3-6,9-12,22H,7-8,13-18H2,1-2H3,(H,26,30)(H,27,29)