(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide

Systemtic Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide Openeye Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-morpholinophenyl)propanamide CAS Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[4-(4-morpholinyl)phenyl]propanamide IUPAC Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(4-morpholin-4-ylphenyl)propanamide Traditional Name: (2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(4-morpholinophenyl)propionamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)N2CCOCC2)SC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H26N2O4S/c1-16(29-19-7-8-20-21(15-19)28-12-2-11-27-20)22(25)23-17-3-5-18(6-4-17)24-9-13-26-14-10-24/h3-8,15-16H,2,9-14H2,1H3,(H,23,25)/t16-/m1/s1