N-[bis(azanyl)methylidene]-4-(3,5-dimethylphenyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid

Systemtic Name: N-[bis(azanyl)methylidene]-4-(3,5-dimethylphenyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid Openeye Name: N-(diaminomethylene)-4-(3,5-dimethylphenyl)benzothiophene-2-carboxamide; methanesulfonic acid CAS Name: N-(diaminomethylidene)-4-(3,5-dimethylphenyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid IUPAC Name: N-(diaminomethylidene)-4-(3,5-dimethylphenyl)-1-benzothiophene-2-carboxamide; methanesulfonic acid Traditional Name: N-(diaminomethylene)-4-(3,5-dimethylphenyl)benzothiophene-2-carboxamide; mesylic acid Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3OS.CH4O3S/c1-10-6-11(2)8-12(7-10)13-4-3-5-15-14(13)9-16(23-15)17(22)21-18(19)20;1-5(2,3)4/h3-9H,1-2H3,(H4,19,20,21,22);1H3,(H,2,3,4)