sodium 3,4-bis(oxidanylidene)-2-[(6-oxidanylidene-6-phenylazanyl-hexyl)amino]cyclobutene-1-thiolate

Systemtic Name: sodium 3,4-bis(oxidanylidene)-2-[(6-oxidanylidene-6-phenylazanyl-hexyl)amino]cyclobutene-1-thiolate Openeye Name: sodium 2-[(6-anilino-6-oxo-hexyl)amino]-3,4-dioxo-cyclobutene-1-thiolate CAS Name: sodium 2-[(6-anilino-6-oxohexyl)amino]-3,4-dioxo-1-cyclobutenethiolate IUPAC Name: sodium 2-[(6-anilino-6-oxohexyl)amino]-3,4-dioxocyclobutene-1-thiolate Traditional Name: sodium 2-[(6-anilino-6-keto-hexyl)amino]-3,4-diketo-cyclobutene-1-thiolate Formula: C16H17N2NaO3S MolecularWeight: 340.37255

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCCCCNC2=C(C(=O)C2=O)[S-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCCCCNC2=C(C(=O)C2=O)[S-].[Na+]

InChI

InChI=1S/C16H18N2O3S.Na/c19-12(18-11-7-3-1-4-8-11)9-5-2-6-10-17-13-14(20)15(21)16(13)22;/h1,3-4,7-8,17,22H,2,5-6,9-10H2,(H,18,19);/q;+1/p-1