1-[(3-chloranyl-5,6-dihydrobenzo[b][1,4]benzoxazepin-6-yl)methyl]-1-methylsulfanyl-urea

Systemtic Name: 1-[(3-chloranyl-5,6-dihydrobenzo[b][1,4]benzoxazepin-6-yl)methyl]-1-methylsulfanyl-urea Openeye Name: 1-[(3-chloro-5,6-dihydrobenzo[b][1,4]benzoxazepin-6-yl)methyl]-1-methylsulfanyl-urea CAS Name: 1-[(3-chloro-5,6-dihydrobenzo[b][1,4]benzoxazepin-6-yl)methyl]-1-(methylthio)urea IUPAC Name: 1-[(3-chloro-5,6-dihydrobenzo[b][1,4]benzoxazepin-6-yl)methyl]-1-methylsulfanylurea Traditional Name: 1-[(3-chloro-5,6-dihydrobenzo[b][1,4]benzoxazepin-6-yl)methyl]-1-(methylthio)urea Formula: C16H16ClN3O2S MolecularWeight: 349.83514

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Descriptors Computed from Structure

Canonical SMILES:

CSN(CC1C2=CC=CC=C2OC3=C(N1)C=C(C=C3)Cl)C(=O)N

Isomeric SMILES

CSN(CC1C2=CC=CC=C2OC3=C(N1)C=C(C=C3)Cl)C(=O)N

InChI

InChI=1S/C16H16ClN3O2S/c1-23-20(16(18)21)9-13-11-4-2-3-5-14(11)22-15-7-6-10(17)8-12(15)19-13/h2-8,13,19H,9H2,1H3,(H2,18,21)