N-[1-[[4-(azepan-1-yl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide

Systemtic Name: N-[1-[[4-(azepan-1-yl)phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]-2-methoxy-benzamide Openeye Name: N-[1-[[4-(azepan-1-yl)phenyl]carbamoyl]-3-methylsulfanyl-propyl]-2-methoxy-benzamide CAS Name: N-[1-[4-(1-azepanyl)anilino]-4-(methylthio)-1-oxobutan-2-yl]-2-methoxybenzamide IUPAC Name: N-[1-[4-(azepan-1-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]-2-methoxybenzamide Traditional Name: N-[1-[[4-(azepan-1-yl)phenyl]carbamoyl]-3-(methylthio)propyl]-2-methoxy-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)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(CCSC)C(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C25H33N3O3S/c1-31-23-10-6-5-9-21(23)24(29)27-22(15-18-32-2)25(30)26-19-11-13-20(14-12-19)28-16-7-3-4-8-17-28/h5-6,9-14,22H,3-4,7-8,15-18H2,1-2H3,(H,26,30)(H,27,29)