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

Systemtic Name: N-(3,5-dimethoxyphenyl)-3-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanamide Openeye Name: N-(3,5-dimethoxyphenyl)-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanamide CAS Name: N-(3,5-dimethoxyphenyl)-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]propanamide IUPAC Name: N-(3,5-dimethoxyphenyl)-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanamide Traditional Name: N-(3,5-dimethoxyphenyl)-3-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]propionamide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)CCSC2CCC3=CC=CC=C3NC2=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)CCSC2CCC3=CC=CC=C3NC2=O)OC

InChI

InChI=1S/C21H24N2O4S/c1-26-16-11-15(12-17(13-16)27-2)22-20(24)9-10-28-19-8-7-14-5-3-4-6-18(14)23-21(19)25/h3-6,11-13,19H,7-10H2,1-2H3,(H,22,24)(H,23,25)