ethanoylsulfanyl 2-[1,3-bis(oxidanylidene)-4-(3-phenylpropylamino)-4,5-dihydro-2-benzazepin-2-yl]ethanoate

Systemtic Name: ethanoylsulfanyl 2-[1,3-bis(oxidanylidene)-4-(3-phenylpropylamino)-4,5-dihydro-2-benzazepin-2-yl]ethanoate Openeye Name: acetylsulfanyl 2-[1,3-dioxo-4-(3-phenylpropylamino)-4,5-dihydro-2-benzazepin-2-yl]acetate CAS Name: 2-[1,3-dioxo-4-(3-phenylpropylamino)-4,5-dihydro-2-benzazepin-2-yl]acetic acid (acetylthio) ester IUPAC Name: acetylsulfanyl 2-[1,3-dioxo-4-(3-phenylpropylamino)-4,5-dihydro-2-benzazepin-2-yl]acetate Traditional Name: 2-[1,3-diketo-4-(3-phenylpropylamino)-4,5-dihydro-2-benzazepin-2-yl]acetic acid (acetylthio) ester Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SOC(=O)CN1C(=O)C(CC2=CC=CC=C2C1=O)NCCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)SOC(=O)CN1C(=O)C(CC2=CC=CC=C2C1=O)NCCCC3=CC=CC=C3

InChI

InChI=1S/C23H24N2O5S/c1-16(26)31-30-21(27)15-25-22(28)19-12-6-5-11-18(19)14-20(23(25)29)24-13-7-10-17-8-3-2-4-9-17/h2-6,8-9,11-12,20,24H,7,10,13-15H2,1H3