3-[[3,4-bis(oxidanylidene)-2-(1-thiophen-2-ylpropylamino)cyclobuten-1-yl]amino]-5-cyano-N,N-dimethyl-2-oxidanyl-benzamide

Systemtic Name: 3-[[3,4-bis(oxidanylidene)-2-(1-thiophen-2-ylpropylamino)cyclobuten-1-yl]amino]-5-cyano-N,N-dimethyl-2-oxidanyl-benzamide Openeye Name: 5-cyano-3-[[3,4-dioxo-2-[1-(2-thienyl)propylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethyl-benzamide CAS Name: 5-cyano-3-[[3,4-dioxo-2-(1-thiophen-2-ylpropylamino)-1-cyclobutenyl]amino]-2-hydroxy-N,N-dimethylbenzamide IUPAC Name: 5-cyano-3-[[3,4-dioxo-2-(1-thiophen-2-ylpropylamino)cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide Traditional Name: 5-cyano-3-[[3,4-diketo-2-[1-(2-thienyl)propylamino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethyl-benzamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CS1)NC2=C(C(=O)C2=O)NC3=CC(=CC(=C3O)C(=O)N(C)C)C#N

Isomeric SMILES

CCC(C1=CC=CS1)NC2=C(C(=O)C2=O)NC3=CC(=CC(=C3O)C(=O)N(C)C)C#N

InChI

InChI=1S/C21H20N4O4S/c1-4-13(15-6-5-7-30-15)23-16-17(20(28)19(16)27)24-14-9-11(10-22)8-12(18(14)26)21(29)25(2)3/h5-9,13,23-24,26H,4H2,1-3H3