N-(2-azanyl-3-sulfanyl-propanoyl)-4-azabicyclo[4.2.0]octa-1(6),2,4-triene-5-carboxamide

Systemtic Name: N-(2-azanyl-3-sulfanyl-propanoyl)-4-azabicyclo[4.2.0]octa-1(6),2,4-triene-5-carboxamide Openeye Name: N-(2-amino-3-sulfanyl-propanoyl)-4-azabicyclo[4.2.0]octa-1(6),2,4-triene-5-carboxamide CAS Name: N-(2-amino-3-mercapto-1-oxopropyl)-4-azabicyclo[4.2.0]octa-1(6),2,4-triene-5-carboxamide IUPAC Name: N-(2-amino-3-sulfanylpropanoyl)-4-azabicyclo[4.2.0]octa-1(6),2,4-triene-5-carboxamide Traditional Name: N-(2-amino-3-mercapto-propanoyl)-4-azabicyclo[4.2.0]octa-1(6),2,4-triene-5-carboxamide Formula: C11H13N3O2S MolecularWeight: 251.30482

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C1C=CN=C2C(=O)NC(=O)C(CS)N

Isomeric SMILES

C1CC2=C1C=CN=C2C(=O)NC(=O)C(CS)N

InChI

InChI=1S/C11H13N3O2S/c12-8(5-17)10(15)14-11(16)9-7-2-1-6(7)3-4-13-9/h3-4,8,17H,1-2,5,12H2,(H,14,15,16)