N-[bis(azanyl)methylidene]-3-(1-methylindol-4-yl)benzamide; methanesulfonate

Systemtic Name: N-[bis(azanyl)methylidene]-3-(1-methylindol-4-yl)benzamide; methanesulfonate Openeye Name: N-(diaminomethylene)-3-(1-methylindol-4-yl)benzamide; methanesulfonate CAS Name: N-(diaminomethylidene)-3-(1-methyl-4-indolyl)benzamide; methanesulfonate IUPAC Name: N-(diaminomethylidene)-3-(1-methylindol-4-yl)benzamide; methanesulfonate Traditional Name: N-(diaminomethylene)-3-(1-methylindol-4-yl)benzamide mesylate Formula: C18H19N4O4S- MolecularWeight: 387.43286

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C(C=CC=C21)C3=CC(=CC=C3)C(=O)N=C(N)N.CS(=O)(=O)[O-]

Isomeric SMILES

CN1C=CC2=C(C=CC=C21)C3=CC(=CC=C3)C(=O)N=C(N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C17H16N4O.CH4O3S/c1-21-9-8-14-13(6-3-7-15(14)21)11-4-2-5-12(10-11)16(22)20-17(18)19;1-5(2,3)4/h2-10H,1H3,(H4,18,19,20,22);1H3,(H,2,3,4)/p-1