6-chloranyl-N-(5-methyl-1,3-thiazol-2-yl)-1-oxidanyl-3-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide

Systemtic Name: 6-chloranyl-N-(5-methyl-1,3-thiazol-2-yl)-1-oxidanyl-3-oxidanylidene-2-(phenylmethyl)isoquinoline-4-carboxamide Openeye Name: 2-benzyl-6-chloro-1-hydroxy-N-(5-methylthiazol-2-yl)-3-oxo-isoquinoline-4-carboxamide CAS Name: 6-chloro-1-hydroxy-N-(5-methyl-2-thiazolyl)-3-oxo-2-(phenylmethyl)-4-isoquinolinecarboxamide IUPAC Name: 2-benzyl-6-chloro-1-hydroxy-N-(5-methyl-1,3-thiazol-2-yl)-3-oxoisoquinoline-4-carboxamide Traditional Name: 2-benzyl-6-chloro-1-hydroxy-3-keto-N-(5-methylthiazol-2-yl)isoquinoline-4-carboxamide Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)NC(=O)C2=C3C=C(C=CC3=C(N(C2=O)CC4=CC=CC=C4)O)Cl

Isomeric SMILES

CC1=CN=C(S1)NC(=O)C2=C3C=C(C=CC3=C(N(C2=O)CC4=CC=CC=C4)O)Cl

InChI

InChI=1S/C21H16ClN3O3S/c1-12-10-23-21(29-12)24-18(26)17-16-9-14(22)7-8-15(16)19(27)25(20(17)28)11-13-5-3-2-4-6-13/h2-10,27H,11H2,1H3,(H,23,24,26)