N-[bis(azanyl)methylidene]-7-chloranyl-9-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxamide

Systemtic Name: N-[bis(azanyl)methylidene]-7-chloranyl-9-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: 7-chloro-N-(diaminomethylene)-9-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: 7-chloro-N-(diaminomethylidene)-9-(methylthio)-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: 7-chloro-N-(diaminomethylidene)-9-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: 7-chloro-N-(diaminomethylene)-9-(methylthio)-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C13H14ClN3O2S MolecularWeight: 311.78716

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C2C(=CC(=C1)Cl)C=C(CCO2)C(=O)N=C(N)N

Isomeric SMILES

CSC1=C2C(=CC(=C1)Cl)C=C(CCO2)C(=O)N=C(N)N

InChI

InChI=1S/C13H14ClN3O2S/c1-20-10-6-9(14)5-8-4-7(2-3-19-11(8)10)12(18)17-13(15)16/h4-6H,2-3H2,1H3,(H4,15,16,17,18)