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

Systemtic Name: N-[bis(azanyl)methylidene]-9-ethylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-9-ethylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-9-(ethylthio)-2,3-dihydro-1-benzoxepin-4-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-9-ethylsulfanyl-2,3-dihydro-1-benzoxepine-4-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-9-(ethylthio)-2,3-dihydro-1-benzoxepin-4-carboxamide; mesylic acid Formula: C15H21N3O5S2 MolecularWeight: 387.47434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N.CS(=O)(=O)O

Isomeric SMILES

CCSC1=CC=CC2=C1OCCC(=C2)C(=O)N=C(N)N.CS(=O)(=O)O

InChI

InChI=1S/C14H17N3O2S.CH4O3S/c1-2-20-11-5-3-4-9-8-10(6-7-19-12(9)11)13(18)17-14(15)16;1-5(2,3)4/h3-5,8H,2,6-7H2,1H3,(H4,15,16,17,18);1H3,(H,2,3,4)