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

Systemtic Name: N-(2,5-dimethoxyphenyl)-3-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanamide Openeye Name: N-(2,5-dimethoxyphenyl)-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanamide CAS Name: N-(2,5-dimethoxyphenyl)-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]propanamide IUPAC Name: N-(2,5-dimethoxyphenyl)-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanamide Traditional Name: N-(2,5-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(=C(C=C1)OC)NC(=O)CCSC2CCC3=CC=CC=C3NC2=O

Isomeric SMILES

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

InChI

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