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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C)(C)C(=O)NC1=CC=C(C=C1)C2=NNC(=O)C3C2C3

Isomeric SMILES

CCSC(C)(C)C(=O)NC1=CC=C(C=C1)C2=NNC(=O)C3C2C3

InChI

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