N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenylsulfanyl-propanamide CAS Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(phenylthio)propanamide IUPAC Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-phenylsulfanylpropanamide Traditional Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(phenylthio)propionamide Formula: C19H20ClNO3S MolecularWeight: 377.885

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CNC(=O)CCSC3=CC=CC=C3)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CNC(=O)CCSC3=CC=CC=C3)Cl)OC1

InChI

InChI=1S/C19H20ClNO3S/c20-16-11-14(12-17-19(16)24-9-4-8-23-17)13-21-18(22)7-10-25-15-5-2-1-3-6-15/h1-3,5-6,11-12H,4,7-10,13H2,(H,21,22)