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

Systemtic Name: N-[bis(azanyl)methylidene]-4-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-4-(2-methoxyphenyl)benzothiophene-2-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-4-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-4-(2-methoxyphenyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-4-(2-methoxyphenyl)benzothiophene-2-carboxamide; mesylic acid Formula: C18H19N3O5S2 MolecularWeight: 421.49056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C3C=C(SC3=CC=C2)C(=O)N=C(N)N.CS(=O)(=O)O

Isomeric SMILES

COC1=CC=CC=C1C2=C3C=C(SC3=CC=C2)C(=O)N=C(N)N.CS(=O)(=O)O

InChI

InChI=1S/C17H15N3O2S.CH4O3S/c1-22-13-7-3-2-5-11(13)10-6-4-8-14-12(10)9-15(23-14)16(21)20-17(18)19;1-5(2,3)4/h2-9H,1H3,(H4,18,19,20,21);1H3,(H,2,3,4)