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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-methylphenyl)propanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(m-tolyl)propanamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(3-methylphenyl)propanamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(3-methylphenyl)propanamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(m-tolyl)propionamide Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)SC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C(C)SC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21NO3S/c1-13-5-3-6-15(11-13)20-19(21)14(2)24-16-7-8-17-18(12-16)23-10-4-9-22-17/h3,5-8,11-12,14H,4,9-10H2,1-2H3,(H,20,21)