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

Systemtic Name: 4-oxidanylidene-N-phenyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Openeye Name: 4-oxo-N-phenyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide CAS Name: 4-oxo-N-phenyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide IUPAC Name: 4-oxo-N-phenyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Traditional Name: 4-keto-N-phenyl-6,7,8,9-tetrahydro-1H-pyrimido[2,1-b][1,3]benzothiazol-5-ium-3-carboxamide Formula: C17H16N3O2S+ MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)[N+]3=C(S2)NC=C(C3=O)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)[N+]3=C(S2)NC=C(C3=O)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C17H15N3O2S/c21-15(19-11-6-2-1-3-7-11)12-10-18-17-20(16(12)22)13-8-4-5-9-14(13)23-17/h1-3,6-7,10H,4-5,8-9H2,(H,19,21)/p+1