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

Systemtic Name: N-[bis(azanyl)methylidene]-7-chloranyl-9-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid Openeye Name: 7-chloro-N-(diaminomethylene)-9-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid CAS Name: 7-chloro-N-(diaminomethylidene)-9-(methylthio)-2,3-dihydro-1-benzoxepin-4-carboxamide; methanesulfonic acid IUPAC Name: 7-chloro-N-(diaminomethylidene)-9-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid Traditional Name: 7-chloro-N-(diaminomethylene)-9-(methylthio)-2,3-dihydro-1-benzoxepin-4-carboxamide; mesylic acid Formula: C14H18ClN3O5S2 MolecularWeight: 407.89282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O2S.CH4O3S/c1-20-10-6-9(14)5-8-4-7(2-3-19-11(8)10)12(18)17-13(15)16;1-5(2,3)4/h4-6H,2-3H2,1H3,(H4,15,16,17,18);1H3,(H,2,3,4)