N-[bis(azanyl)methylidene]-4-(5-chloranyl-2-methoxy-phenyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-4-(5-chloranyl-2-methoxy-phenyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid Openeye Name: 4-(5-chloro-2-methoxy-phenyl)-N-(diaminomethylene)benzothiophene-2-carboxamide; methanesulfonic acid CAS Name: 4-(5-chloro-2-methoxyphenyl)-N-(diaminomethylidene)-1-benzothiophene-2-carboxamide; methanesulfonic acid IUPAC Name: 4-(5-chloro-2-methoxyphenyl)-N-(diaminomethylidene)-1-benzothiophene-2-carboxamide; methanesulfonic acid Traditional Name: 4-(5-chloro-2-methoxy-phenyl)-N-(diaminomethylene)benzothiophene-2-carboxamide; mesylic acid Formula: C18H18ClN3O5S2 MolecularWeight: 455.93562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=C3C=C(SC3=CC=C2)C(=O)N=C(N)N.CS(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=C3C=C(SC3=CC=C2)C(=O)N=C(N)N.CS(=O)(=O)O

InChI

InChI=1S/C17H14ClN3O2S.CH4O3S/c1-23-13-6-5-9(18)7-11(13)10-3-2-4-14-12(10)8-15(24-14)16(22)21-17(19)20;1-5(2,3)4/h2-8H,1H3,(H4,19,20,21,22);1H3,(H,2,3,4)