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

Systemtic Name: 2-chloranyl-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-5-methylsulfanyl-benzamide Openeye Name: 2-chloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-5-methylsulfanyl-benzamide CAS Name: 2-chloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-5-(methylthio)benzamide IUPAC Name: 2-chloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-5-methylsulfanylbenzamide Traditional Name: 2-chloro-N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]-5-(methylthio)benzamide Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClNO3S/c1-13(2)20(14-5-8-18-19(11-14)26-10-4-9-25-18)23-21(24)16-12-15(27-3)6-7-17(16)22/h5-8,11-13,20H,4,9-10H2,1-3H3,(H,23,24)