5-[2-[methyl(oxidanyl)amino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]sulfanyl-N-phenyl-pentanamide

Systemtic Name: 5-[2-[methyl(oxidanyl)amino]-3,4-bis(oxidanylidene)cyclobuten-1-yl]sulfanyl-N-phenyl-pentanamide Openeye Name: 5-[2-[hydroxy(methyl)amino]-3,4-dioxo-cyclobuten-1-yl]sulfanyl-N-phenyl-pentanamide CAS Name: 5-[[2-[hydroxy(methyl)amino]-3,4-dioxo-1-cyclobutenyl]thio]-N-phenylpentanamide IUPAC Name: 5-[2-[hydroxy(methyl)amino]-3,4-dioxocyclobuten-1-yl]sulfanyl-N-phenylpentanamide Traditional Name: 5-[[2-[hydroxy(methyl)amino]-3,4-diketo-cyclobuten-1-yl]thio]-N-phenyl-valeramide Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(C(=O)C1=O)SCCCCC(=O)NC2=CC=CC=C2)O

Isomeric SMILES

CN(C1=C(C(=O)C1=O)SCCCCC(=O)NC2=CC=CC=C2)O

InChI

InChI=1S/C16H18N2O4S/c1-18(22)13-14(20)15(21)16(13)23-10-6-5-9-12(19)17-11-7-3-2-4-8-11/h2-4,7-8,22H,5-6,9-10H2,1H3,(H,17,19)