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

Systemtic Name: N-[bis(azanyl)methylidene]-7-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-7-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-7-(methylthio)-2,3-dihydro-1-benzoxepin-4-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-7-methylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-7-(methylthio)-2,3-dihydro-1-benzoxepin-4-carboxamide; mesylic acid Formula: C14H19N3O5S2 MolecularWeight: 373.44776

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)OCCC(=C2)C(=O)N=C(N)N.CS(=O)(=O)O

Isomeric SMILES

CSC1=CC2=C(C=C1)OCCC(=C2)C(=O)N=C(N)N.CS(=O)(=O)O

InChI

InChI=1S/C13H15N3O2S.CH4O3S/c1-19-10-2-3-11-9(7-10)6-8(4-5-18-11)12(17)16-13(14)15;1-5(2,3)4/h2-3,6-7H,4-5H2,1H3,(H4,14,15,16,17);1H3,(H,2,3,4)