N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide

Systemtic Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-[4-(2,5-dimethoxyphenyl)-2-thiazolyl]-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-1-keto-2H-isoquinoline-3-carboxamide Formula: C21H17N3O4S MolecularWeight: 407.44238

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CSC(=N2)NC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H17N3O4S/c1-27-13-7-8-18(28-2)15(10-13)17-11-29-21(23-17)24-20(26)16-9-12-5-3-4-6-14(12)19(25)22-16/h3-11H,1-2H3,(H,22,25)(H,23,24,26)