1-oxidanylidene-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-2H-isoquinoline-3-carboxamide

Systemtic Name: 1-oxidanylidene-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-2H-isoquinoline-3-carboxamide Openeye Name: 1-oxo-N-[4-(4-propoxyphenyl)thiazol-2-yl]-2H-isoquinoline-3-carboxamide CAS Name: 1-oxo-N-[4-(4-propoxyphenyl)-2-thiazolyl]-2H-isoquinoline-3-carboxamide IUPAC Name: 1-oxo-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]-2H-isoquinoline-3-carboxamide Traditional Name: 1-keto-N-[4-(4-propoxyphenyl)thiazol-2-yl]-2H-isoquinoline-3-carboxamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C22H19N3O3S/c1-2-11-28-16-9-7-14(8-10-16)19-13-29-22(24-19)25-21(27)18-12-15-5-3-4-6-17(15)20(26)23-18/h3-10,12-13H,2,11H2,1H3,(H,23,26)(H,24,25,27)