3-[4-[(6-chloranyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]phenyl]-1,3-thiazolidine-2,4-dione

Systemtic Name: 3-[4-[(6-chloranyl-4-phenyl-3-propanoyl-1H-isoquinolin-2-yl)carbonyl]phenyl]-1,3-thiazolidine-2,4-dione Openeye Name: 3-[4-(6-chloro-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)phenyl]thiazolidine-2,4-dione CAS Name: 3-[4-[[6-chloro-3-(1-oxopropyl)-4-phenyl-1H-isoquinolin-2-yl]-oxomethyl]phenyl]thiazolidine-2,4-dione IUPAC Name: 3-[4-(6-chloro-4-phenyl-3-propanoyl-1H-isoquinoline-2-carbonyl)phenyl]-1,3-thiazolidine-2,4-dione Traditional Name: 3-[4-(6-chloro-4-phenyl-3-propionyl-1H-isoquinoline-2-carbonyl)phenyl]thiazolidine-2,4-quinone Formula: C28H21ClN2O4S MolecularWeight: 516.99534

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)N4C(=O)CSC4=O)C=CC(=C2)Cl)C5=CC=CC=C5

Isomeric SMILES

CCC(=O)C1=C(C2=C(CN1C(=O)C3=CC=C(C=C3)N4C(=O)CSC4=O)C=CC(=C2)Cl)C5=CC=CC=C5

InChI

InChI=1S/C28H21ClN2O4S/c1-2-23(32)26-25(17-6-4-3-5-7-17)22-14-20(29)11-8-19(22)15-30(26)27(34)18-9-12-21(13-10-18)31-24(33)16-36-28(31)35/h3-14H,2,15-16H2,1H3