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

Systemtic Name: N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-1-oxidanylidene-2H-isoquinoline-3-carboxamide Openeye Name: N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-1-oxo-2H-isoquinoline-3-carboxamide CAS Name: N-[4-(2,5-dimethylphenyl)-2-thiazolyl]-1-oxo-2H-isoquinoline-3-carboxamide IUPAC Name: N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-1-oxo-2H-isoquinoline-3-carboxamide Traditional Name: N-[4-(2,5-dimethylphenyl)thiazol-2-yl]-1-keto-2H-isoquinoline-3-carboxamide Formula: C21H17N3O2S MolecularWeight: 375.44358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)C3=CC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C2=CSC(=N2)NC(=O)C3=CC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C21H17N3O2S/c1-12-7-8-13(2)16(9-12)18-11-27-21(23-18)24-20(26)17-10-14-5-3-4-6-15(14)19(25)22-17/h3-11H,1-2H3,(H,22,25)(H,23,24,26)