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

Systemtic Name: ethyl 4-[3-[(2-oxidanylidene-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanoyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]propyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)sulfanyl]propanoyl]piperazine-1-carboxylate Traditional Name: 4-[3-[(2-keto-1,3,4,5-tetrahydro-1-benzazepin-3-yl)thio]propanoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CCSC2CCC3=CC=CC=C3NC2=O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CCSC2CCC3=CC=CC=C3NC2=O

InChI

InChI=1S/C20H27N3O4S/c1-2-27-20(26)23-12-10-22(11-13-23)18(24)9-14-28-17-8-7-15-5-3-4-6-16(15)21-19(17)25/h3-6,17H,2,7-14H2,1H3,(H,21,25)