1-[[(5S)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]-3-phenyl-thiourea

Systemtic Name: 1-[[(5S)-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]-3-phenyl-thiourea Openeye Name: 1-[[(5S)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]-3-phenyl-thiourea CAS Name: 1-[[(5S)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]-3-phenylthiourea IUPAC Name: 1-[[(5S)-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]-3-phenylthiourea Traditional Name: 1-[[(5S)-7-keto-4-thia-1-azabicyclo[3.2.0]hept-2-en-3-yl]methyl]-3-phenyl-thiourea Formula: C13H13N3OS2 MolecularWeight: 291.39182

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C=C(S2)CNC(=S)NC3=CC=CC=C3

Isomeric SMILES

C1[C@H]2N(C1=O)C=C(S2)CNC(=S)NC3=CC=CC=C3

InChI

InChI=1S/C13H13N3OS2/c17-11-6-12-16(11)8-10(19-12)7-14-13(18)15-9-4-2-1-3-5-9/h1-5,8,12H,6-7H2,(H2,14,15,18)/t12-/m0/s1