S-[1-oxidanylidene-1-[(3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl)amino]-3-phenyl-propan-2-yl] benzenecarbothioate

Systemtic Name: S-[1-oxidanylidene-1-[(3-oxidanylidene-1,2,4,5-tetrahydro-2-benzazepin-4-yl)amino]-3-phenyl-propan-2-yl] benzenecarbothioate Openeye Name: S-[1-benzyl-2-oxo-2-[(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)amino]ethyl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[1-oxo-1-[(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)amino]-3-phenylpropan-2-yl] ester IUPAC Name: S-[1-oxo-1-[(3-oxo-1,2,4,5-tetrahydro-2-benzazepin-4-yl)amino]-3-phenylpropan-2-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[1-benzyl-2-keto-2-[(3-keto-1,2,4,5-tetrahydro-2-benzazepin-4-yl)amino]ethyl] ester Formula: C26H24N2O3S MolecularWeight: 444.54536

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)NCC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)SC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C(=O)NCC2=CC=CC=C21)NC(=O)C(CC3=CC=CC=C3)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H24N2O3S/c29-24-22(16-20-13-7-8-14-21(20)17-27-24)28-25(30)23(15-18-9-3-1-4-10-18)32-26(31)19-11-5-2-6-12-19/h1-14,22-23H,15-17H2,(H,27,29)(H,28,30)