O-(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N,N-diethylcarbamothioate

Systemtic Name: O-(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N,N-diethylcarbamothioate Openeye Name: O-(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid O-[(6-phenyl-7-pyrrolo[2,1-d][1,5]benzoxazepinyl)] ester IUPAC Name: O-(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid O-(6-phenylpyrrolo[2,1-d][1,5]benzoxazepin-7-yl) ester Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)OC1=C(OC2=CC=CC=C2N3C1=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN(CC)C(=S)OC1=C(OC2=CC=CC=C2N3C1=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H22N2O2S/c1-3-24(4-2)23(28)27-22-19-14-10-16-25(19)18-13-8-9-15-20(18)26-21(22)17-11-6-5-7-12-17/h5-16H,3-4H2,1-2H3