1-[4-[(5S)-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]hept-1-en-3-yl]butyl]urea

Systemtic Name: 1-[4-[(5S)-7-oxidanylidene-4-thia-1-azoniabicyclo[3.2.0]hept-1-en-3-yl]butyl]urea Openeye Name: 4-[(5S)-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-1-en-3-yl]butylurea CAS Name: 4-[(5S)-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-1-en-3-yl]butylurea IUPAC Name: 4-[(5S)-7-oxo-4-thia-1-azoniabicyclo[3.2.0]hept-1-en-3-yl]butylurea Traditional Name: 4-[(5S)-7-keto-4-thia-1-azoniabicyclo[3.2.0]hept-1-en-3-yl]butylurea Formula: C10H16N3O2S+ MolecularWeight: 242.31794

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Descriptors Computed from Structure

Canonical SMILES:

C1C2[N+](=CC(S2)CCCCNC(=O)N)C1=O

Isomeric SMILES

C1[C@H]2[N+](=CC(S2)CCCCNC(=O)N)C1=O

InChI

InChI=1S/C10H15N3O2S/c11-10(15)12-4-2-1-3-7-6-13-8(14)5-9(13)16-7/h6-7,9H,1-5H2,(H2-,11,12,15)/p+1/t7?,9-/m0/s1