(2S,4S)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-1-propan-2-yl-4-pyridin-2-ylsulfanyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S,4S)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-1-propan-2-yl-4-pyridin-2-ylsulfanyl-pyrrolidine-2-carboxamide Openeye Name: (2S,4S)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-1-isopropyl-4-(2-pyridylsulfanyl)pyrrolidine-2-carboxamide CAS Name: (2S,4S)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-1-propan-2-yl-4-(2-pyridinylthio)-2-pyrrolidinecarboxamide IUPAC Name: (2S,4S)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-1-propan-2-yl-4-pyridin-2-ylsulfanylpyrrolidine-2-carboxamide Traditional Name: (2S,4S)-N-(6,11-dihydro-5H-benzo[b][1]benzazepin-2-yl)-1-isopropyl-4-(2-pyridylthio)pyrrolidine-2-carboxamide Formula: C27H30N4OS MolecularWeight: 458.6183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CC(CC1C(=O)NC2=CC3=C(CCC4=CC=CC=C4N3)C=C2)SC5=CC=CC=N5

Isomeric SMILES

CC(C)N1C[C@H](C[C@H]1C(=O)NC2=CC3=C(CCC4=CC=CC=C4N3)C=C2)SC5=CC=CC=N5

InChI

InChI=1S/C27H30N4OS/c1-18(2)31-17-22(33-26-9-5-6-14-28-26)16-25(31)27(32)29-21-13-12-20-11-10-19-7-3-4-8-23(19)30-24(20)15-21/h3-9,12-15,18,22,25,30H,10-11,16-17H2,1-2H3,(H,29,32)/t22-,25-/m0/s1