(3E)-1-methoxy-3-[(3-prop-2-enyl-2H-1,3-benzothiazol-3-ium-3-yl)methylidene]urea

Systemtic Name: (3E)-1-methoxy-3-[(3-prop-2-enyl-2H-1,3-benzothiazol-3-ium-3-yl)methylidene]urea Openeye Name: (1E)-1-[(3-allyl-2H-1,3-benzothiazol-3-ium-3-yl)methylene]-3-methoxy-urea CAS Name: (3E)-1-methoxy-3-[(3-prop-2-enyl-2H-1,3-benzothiazol-3-ium-3-yl)methylidene]urea IUPAC Name: (3E)-1-methoxy-3-[(3-prop-2-enyl-2H-1,3-benzothiazol-3-ium-3-yl)methylidene]urea Traditional Name: (1E)-1-[(3-allyl-2H-1,3-benzothiazol-3-ium-3-yl)methylene]-3-methoxy-urea Formula: C13H16N3O2S+ MolecularWeight: 278.35004

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Descriptors Computed from Structure

Canonical SMILES:

CONC(=O)N=C[N+]1(CSC2=CC=CC=C21)CC=C

Isomeric SMILES

CONC(=O)/N=C/[N+]1(CSC2=CC=CC=C21)CC=C

InChI

InChI=1S/C13H15N3O2S/c1-3-8-16(9-14-13(17)15-18-2)10-19-12-7-5-4-6-11(12)16/h3-7,9H,1,8,10H2,2H3/p+1/b14-9+