N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-methoxy-4-methylsulfanyl-benzamide

Systemtic Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-methoxy-4-methylsulfanyl-benzamide Openeye Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-methoxy-4-methylsulfanyl-benzamide CAS Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-methoxy-4-(methylthio)benzamide IUPAC Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-methoxy-4-methylsulfanylbenzamide Traditional Name: N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-2-methoxy-4-(methylthio)benzamide Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=C(C=C(C=C3)SC)OC

Isomeric SMILES

CC(C)C(C1=CC2=C(C=C1)OCCCO2)NC(=O)C3=C(C=C(C=C3)SC)OC

InChI

InChI=1S/C22H27NO4S/c1-14(2)21(15-6-9-18-20(12-15)27-11-5-10-26-18)23-22(24)17-8-7-16(28-4)13-19(17)25-3/h6-9,12-14,21H,5,10-11H2,1-4H3,(H,23,24)