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

Systemtic Name: 2-methyl-2-methylsulfanyl-N-[4-(5-oxidanylidene-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide Openeye Name: 2-methyl-2-methylsulfanyl-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide CAS Name: 2-methyl-2-(methylthio)-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide IUPAC Name: 2-methyl-2-methylsulfanyl-N-[4-(5-oxo-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]propanamide Traditional Name: N-[4-(5-keto-3,4-diazabicyclo[4.1.0]hept-2-en-2-yl)phenyl]-2-methyl-2-(methylthio)propionamide Formula: C16H19N3O2S MolecularWeight: 317.40596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O2S/c1-16(2,22-3)15(21)17-10-6-4-9(5-7-10)13-11-8-12(11)14(20)19-18-13/h4-7,11-12H,8H2,1-3H3,(H,17,21)(H,19,20)