N-[(6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamothioyl]benzamide

Systemtic Name: N-[(6-oxidanylidene-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamothioyl]benzamide Openeye Name: N-[(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamothioyl]benzamide CAS Name: N-[[(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[(6-oxo-5H-benzo[b][1,4]benzoxazepin-8-yl)carbamothioyl]benzamide Traditional Name: N-[(6-keto-5H-benzo[b][1,4]benzoxazepin-8-yl)thiocarbamoyl]benzamide Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC4=CC=CC=C4NC3=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H15N3O3S/c25-19(13-6-2-1-3-7-13)24-21(28)22-14-10-11-17-15(12-14)20(26)23-16-8-4-5-9-18(16)27-17/h1-12H,(H,23,26)(H2,22,24,25,28)