ethyl 4-[2-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2CCC3=CC=CC=C3NC2=O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2CCC3=CC=CC=C3NC2=O

InChI

InChI=1S/C19H25N3O4S/c1-2-26-19(25)22-11-9-21(10-12-22)17(23)13-27-16-8-7-14-5-3-4-6-15(14)20-18(16)24/h3-6,16H,2,7-13H2,1H3,(H,20,24)