2-ethylsulfanyl-N-[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]butanamide

Systemtic Name: 2-ethylsulfanyl-N-[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]butanamide Openeye Name: 2-ethylsulfanyl-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]butanamide CAS Name: 2-(ethylthio)-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]butanamide IUPAC Name: 2-ethylsulfanyl-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]butanamide Traditional Name: 2-(ethylthio)-N-[4-(5-keto-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]butyramide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C2=NNC(=O)C3C2C3)SCC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C2=NNC(=O)C3C2C3)SCC

InChI

InChI=1S/C17H21N3O2S/c1-3-14(23-4-2)17(22)18-11-7-5-10(6-8-11)15-12-9-13(12)16(21)20-19-15/h5-8,12-14H,3-4,9H2,1-2H3,(H,18,22)(H,20,21)