2-[3-[[(3-methanethioylphenyl)-propan-2-yl-carbamoyl]-propan-2-yl-amino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[[(3-methanethioylphenyl)-propan-2-yl-carbamoyl]-propan-2-yl-amino]-2-oxidanylidene-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]ethanoic acid Openeye Name: 2-[3-[isopropyl-[isopropyl-(3-methanethioylphenyl)carbamoyl]amino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid CAS Name: 2-[3-[[(3-methanethioyl-N-propan-2-ylanilino)-oxomethyl]-propan-2-ylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid IUPAC Name: 2-[3-[[(3-methanethioylphenyl)-propan-2-ylcarbamoyl]-propan-2-ylamino]-2-oxo-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Traditional Name: 2-[3-[isopropyl-[isopropyl-(3-thioformylphenyl)carbamoyl]amino]-2-keto-5-phenyl-4,5-dihydro-3H-1-benzazepin-1-yl]acetic acid Formula: C32H35N3O4S MolecularWeight: 557.703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1CC(C2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC=CC=C3)C(=O)N(C4=CC=CC(=C4)C=S)C(C)C

Isomeric SMILES

CC(C)N(C1CC(C2=CC=CC=C2N(C1=O)CC(=O)O)C3=CC=CC=C3)C(=O)N(C4=CC=CC(=C4)C=S)C(C)C

InChI

InChI=1S/C32H35N3O4S/c1-21(2)34(25-14-10-11-23(17-25)20-40)32(39)35(22(3)4)29-18-27(24-12-6-5-7-13-24)26-15-8-9-16-28(26)33(31(29)38)19-30(36)37/h5-17,20-22,27,29H,18-19H2,1-4H3,(H,36,37)