sodium 3,4-bis(oxidanylidene)-2-[(7-oxidanylidene-7-phenylazanyl-heptyl)amino]cyclobutene-1-thiolate

Systemtic Name: sodium 3,4-bis(oxidanylidene)-2-[(7-oxidanylidene-7-phenylazanyl-heptyl)amino]cyclobutene-1-thiolate Openeye Name: sodium 2-[(7-anilino-7-oxo-heptyl)amino]-3,4-dioxo-cyclobutene-1-thiolate CAS Name: sodium 2-[(7-anilino-7-oxoheptyl)amino]-3,4-dioxo-1-cyclobutenethiolate IUPAC Name: sodium 2-[(7-anilino-7-oxoheptyl)amino]-3,4-dioxocyclobutene-1-thiolate Traditional Name: sodium 2-[(7-anilino-7-keto-heptyl)amino]-3,4-diketo-cyclobutene-1-thiolate Formula: C17H19N2NaO3S MolecularWeight: 354.39913

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CCCCCCNC2=C(C(=O)C2=O)[S-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CCCCCCNC2=C(C(=O)C2=O)[S-].[Na+]

InChI

InChI=1S/C17H20N2O3S.Na/c20-13(19-12-8-4-3-5-9-12)10-6-1-2-7-11-18-14-15(21)16(22)17(14)23;/h3-5,8-9,18,23H,1-2,6-7,10-11H2,(H,19,20);/q;+1/p-1