3-(1-benzothiophen-4-yl)-N-[bis(azanyl)methylidene]benzamide; methanesulfonic acid

Systemtic Name: 3-(1-benzothiophen-4-yl)-N-[bis(azanyl)methylidene]benzamide; methanesulfonic acid Openeye Name: 3-(benzothiophen-4-yl)-N-(diaminomethylene)benzamide; methanesulfonic acid CAS Name: 3-(1-benzothiophen-4-yl)-N-(diaminomethylidene)benzamide; methanesulfonic acid IUPAC Name: 3-(1-benzothiophen-4-yl)-N-(diaminomethylidene)benzamide; methanesulfonic acid Traditional Name: 3-(benzothiophen-4-yl)-N-(diaminomethylene)benzamide; mesylic acid Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC(=CC(=C1)C(=O)N=C(N)N)C2=C3C=CSC3=CC=C2

Isomeric SMILES

CS(=O)(=O)O.C1=CC(=CC(=C1)C(=O)N=C(N)N)C2=C3C=CSC3=CC=C2

InChI

InChI=1S/C16H13N3OS.CH4O3S/c17-16(18)19-15(20)11-4-1-3-10(9-11)12-5-2-6-14-13(12)7-8-21-14;1-5(2,3)4/h1-9H,(H4,17,18,19,20);1H3,(H,2,3,4)