N-(3-ethanoylphenyl)-3-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanamide

Systemtic Name: N-(3-ethanoylphenyl)-3-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanamide Openeye Name: N-(3-acetylphenyl)-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanamide CAS Name: N-(3-acetylphenyl)-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]propanamide IUPAC Name: N-(3-acetylphenyl)-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanamide Traditional Name: N-(3-acetylphenyl)-3-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]propionamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=O)CCSC2CCC3=CC=CC=C3NC2=O

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=O)CCSC2CCC3=CC=CC=C3NC2=O

InChI

InChI=1S/C21H22N2O3S/c1-14(24)16-6-4-7-17(13-16)22-20(25)11-12-27-19-10-9-15-5-2-3-8-18(15)23-21(19)26/h2-8,13,19H,9-12H2,1H3,(H,22,25)(H,23,26)