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

Systemtic Name: sulfanylmethyl 2-[1,3-bis(oxidanylidene)-4-(3-phenylpropylamino)-4,5-dihydro-2-benzazepin-2-yl]ethanoate Openeye Name: sulfanylmethyl 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 mercaptomethyl ester IUPAC Name: sulfanylmethyl 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 mercaptomethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C(=O)C2=CC=CC=C21)CC(=O)OCS)NCCCC3=CC=CC=C3

Isomeric SMILES

C1C(C(=O)N(C(=O)C2=CC=CC=C21)CC(=O)OCS)NCCCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4S/c25-20(28-15-29)14-24-21(26)18-11-5-4-10-17(18)13-19(22(24)27)23-12-6-9-16-7-2-1-3-8-16/h1-5,7-8,10-11,19,23,29H,6,9,12-15H2