(E)-N-[(11-ethanoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[(11-ethanoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)thiocarbamoyl]-3-phenyl-acrylamide Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=S)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=S)NC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C26H23N3O2S/c1-18(30)29-23-10-6-5-9-20(23)12-13-21-14-15-22(17-24(21)29)27-26(32)28-25(31)16-11-19-7-3-2-4-8-19/h2-11,14-17H,12-13H2,1H3,(H2,27,28,31,32)/b16-11+