3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl-(4-methoxyphenyl)amino]propanamide

Systemtic Name: 3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanoyl-(4-methoxyphenyl)amino]propanamide Openeye Name: 3-(N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-4-methoxy-anilino)propanamide CAS Name: 3-(N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-oxoethyl]-4-methoxyanilino)propanamide IUPAC Name: 3-(N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)acetyl]-4-methoxyanilino)propanamide Traditional Name: 3-(N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)acetyl]-4-methoxy-anilino)propionamide Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCC(=O)N)C(=O)CSC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=CC=C(C=C1)N(CCC(=O)N)C(=O)CSC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H24N2O5S/c1-26-16-5-3-15(4-6-16)23(10-9-20(22)24)21(25)14-29-17-7-8-18-19(13-17)28-12-2-11-27-18/h3-8,13H,2,9-12,14H2,1H3,(H2,22,24)