4-oxidanylidene-N-phenethyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide

Systemtic Name: 4-oxidanylidene-N-phenethyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Openeye Name: 4-oxo-N-phenethyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide CAS Name: 4-oxo-N-phenethyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide IUPAC Name: 4-oxo-N-phenethyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Traditional Name: 4-keto-N-phenethyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Formula: C19H20N3O2S+ MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)[N+]3=C(S2)NC=C(C3=O)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)[N+]3=C(S2)NC=C(C3=O)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C19H19N3O2S/c23-17(20-11-10-13-6-2-1-3-7-13)14-12-21-19-22(18(14)24)15-8-4-5-9-16(15)25-19/h1-3,6-7,12H,4-5,8-11H2,(H,20,23)/p+1