N-[bis(azanyl)methylidene]-3-(2-ethanoylthiophen-3-yl)benzamide; methanesulfonate

Systemtic Name: N-[bis(azanyl)methylidene]-3-(2-ethanoylthiophen-3-yl)benzamide; methanesulfonate Openeye Name: 3-(2-acetyl-3-thienyl)-N-(diaminomethylene)benzamide; methanesulfonate CAS Name: 3-(2-acetyl-3-thiophenyl)-N-(diaminomethylidene)benzamide; methanesulfonate IUPAC Name: 3-(2-acetylthiophen-3-yl)-N-(diaminomethylidene)benzamide; methanesulfonate Traditional Name: 3-(2-acetyl-3-thienyl)-N-(diaminomethylene)benzamide mesylate Formula: C15H16N3O5S2- MolecularWeight: 382.43464

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CS1)C2=CC(=CC=C2)C(=O)N=C(N)N.CS(=O)(=O)[O-]

Isomeric SMILES

CC(=O)C1=C(C=CS1)C2=CC(=CC=C2)C(=O)N=C(N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C14H13N3O2S.CH4O3S/c1-8(18)12-11(5-6-20-12)9-3-2-4-10(7-9)13(19)17-14(15)16;1-5(2,3)4/h2-7H,1H3,(H4,15,16,17,19);1H3,(H,2,3,4)/p-1