2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[(3,4-dimethoxyphenyl)methyl]propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-[(3,4-dimethoxyphenyl)methyl]propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-veratryl-propionamide Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C(=O)NCC1=CC(=C(C=C1)OC)OC)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C21H25NO5S/c1-14(28-16-6-8-18-20(12-16)27-10-4-9-26-18)21(23)22-13-15-5-7-17(24-2)19(11-15)25-3/h5-8,11-12,14H,4,9-10,13H2,1-3H3,(H,22,23)