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

Systemtic Name: N-[bis(azanyl)methylidene]-9-(methylsulfanylmethyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Openeye Name: N-(diaminomethylene)-9-(methylsulfanylmethyl)-2,3-dihydro-1-benzoxepine-4-carboxamide CAS Name: N-(diaminomethylidene)-9-[(methylthio)methyl]-2,3-dihydro-1-benzoxepin-4-carboxamide IUPAC Name: N-(diaminomethylidene)-9-(methylsulfanylmethyl)-2,3-dihydro-1-benzoxepine-4-carboxamide Traditional Name: N-(diaminomethylene)-9-[(methylthio)methyl]-2,3-dihydro-1-benzoxepin-4-carboxamide Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N

Isomeric SMILES

CSCC1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N

InChI

InChI=1S/C14H17N3O2S/c1-20-8-11-4-2-3-9-7-10(5-6-19-12(9)11)13(18)17-14(15)16/h2-4,7H,5-6,8H2,1H3,(H4,15,16,17,18)