sodium 3,4-bis(oxidanylidene)-2-[(5-oxidanylidene-5-phenylazanyl-pentyl)amino]cyclobutene-1-thiolate

Systemtic Name: sodium 3,4-bis(oxidanylidene)-2-[(5-oxidanylidene-5-phenylazanyl-pentyl)amino]cyclobutene-1-thiolate Openeye Name: sodium 2-[(5-anilino-5-oxo-pentyl)amino]-3,4-dioxo-cyclobutene-1-thiolate CAS Name: sodium 2-[(5-anilino-5-oxopentyl)amino]-3,4-dioxo-1-cyclobutenethiolate IUPAC Name: sodium 2-[(5-anilino-5-oxopentyl)amino]-3,4-dioxocyclobutene-1-thiolate Traditional Name: sodium 2-[(5-anilino-5-keto-pentyl)amino]-3,4-diketo-cyclobutene-1-thiolate Formula: C15H15N2NaO3S MolecularWeight: 326.34597

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCCCNC2=C(C(=O)C2=O)[S-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCCCNC2=C(C(=O)C2=O)[S-].[Na+]

InChI

InChI=1S/C15H16N2O3S.Na/c18-11(17-10-6-2-1-3-7-10)8-4-5-9-16-12-13(19)14(20)15(12)21;/h1-3,6-7,16,21H,4-5,8-9H2,(H,17,18);/q;+1/p-1