N-[bis(azanyl)methylidene]-4-(4-methylphenyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-4-(4-methylphenyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-4-(p-tolyl)benzothiophene-2-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-4-(4-methylphenyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-4-(4-methylphenyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-4-(p-tolyl)benzothiophene-2-carboxamide; mesylic acid Formula: C18H19N3O4S2 MolecularWeight: 405.49116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(SC3=CC=C2)C(=O)N=C(N)N.CS(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(SC3=CC=C2)C(=O)N=C(N)N.CS(=O)(=O)O

InChI

InChI=1S/C17H15N3OS.CH4O3S/c1-10-5-7-11(8-6-10)12-3-2-4-14-13(12)9-15(22-14)16(21)20-17(18)19;1-5(2,3)4/h2-9H,1H3,(H4,18,19,20,21);1H3,(H,2,3,4)