N-[bis(azanyl)methylidene]-3-(4-methylthiophen-3-yl)benzamide; methanesulfonate

Systemtic Name: N-[bis(azanyl)methylidene]-3-(4-methylthiophen-3-yl)benzamide; methanesulfonate Openeye Name: N-(diaminomethylene)-3-(4-methyl-3-thienyl)benzamide; methanesulfonate CAS Name: N-(diaminomethylidene)-3-(4-methyl-3-thiophenyl)benzamide; methanesulfonate IUPAC Name: N-(diaminomethylidene)-3-(4-methylthiophen-3-yl)benzamide; methanesulfonate Traditional Name: N-(diaminomethylene)-3-(4-methyl-3-thienyl)benzamide mesylate Formula: C14H16N3O4S2- MolecularWeight: 354.42454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC=C1C2=CC(=CC=C2)C(=O)N=C(N)N.CS(=O)(=O)[O-]

Isomeric SMILES

CC1=CSC=C1C2=CC(=CC=C2)C(=O)N=C(N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C13H13N3OS.CH4O3S/c1-8-6-18-7-11(8)9-3-2-4-10(5-9)12(17)16-13(14)15;1-5(2,3)4/h2-7H,1H3,(H4,14,15,16,17);1H3,(H,2,3,4)/p-1