ethyl 2-[2-oxidanylidene-5-phenyl-3-[[3-phenyl-2-(phenylazanylsulfanylcarbonylamino)propanoyl]amino]-3H-1-benzazepin-1-yl]ethanoate

Systemtic Name: ethyl 2-[2-oxidanylidene-5-phenyl-3-[[3-phenyl-2-(phenylazanylsulfanylcarbonylamino)propanoyl]amino]-3H-1-benzazepin-1-yl]ethanoate Openeye Name: ethyl 2-[3-[[2-(anilinosulfanylcarbonylamino)-3-phenyl-propanoyl]amino]-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetate CAS Name: 2-[3-[[2-[[(anilinothio)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[[2-(anilinosulfanylcarbonylamino)-3-phenylpropanoyl]amino]-2-oxo-5-phenyl-3H-1-benzazepin-1-yl]acetate Traditional Name: 2-[3-[[2-[(anilinothio)carbonylamino]-3-phenyl-propanoyl]amino]-2-keto-5-phenyl-3H-1-benzazepin-1-yl]acetic acid ethyl ester Formula: C36H34N4O5S MolecularWeight: 634.74396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2C(=CC(C1=O)NC(=O)C(CC3=CC=CC=C3)NC(=O)SNC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2C(=CC(C1=O)NC(=O)C(CC3=CC=CC=C3)NC(=O)SNC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H34N4O5S/c1-2-45-33(41)24-40-32-21-13-12-20-28(32)29(26-16-8-4-9-17-26)23-31(35(40)43)37-34(42)30(22-25-14-6-3-7-15-25)38-36(44)46-39-27-18-10-5-11-19-27/h3-21,23,30-31,39H,2,22,24H2,1H3,(H,37,42)(H,38,44)