4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)butanamide Openeye Name: N-(6-chlorothiochroman-4-yl)-4-(1,3-dioxoisoindolin-2-yl)butanamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-4-(1,3-dioxo-2-isoindolyl)butanamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-4-(1,3-dioxoisoindol-2-yl)butanamide Traditional Name: N-(6-chlorothiochroman-4-yl)-4-phthalimido-butyramide Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O)C=C(C=C2)Cl

Isomeric SMILES

C1CSC2=C(C1NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O)C=C(C=C2)Cl

InChI

InChI=1S/C21H19ClN2O3S/c22-13-7-8-18-16(12-13)17(9-11-28-18)23-19(25)6-3-10-24-20(26)14-4-1-2-5-15(14)21(24)27/h1-2,4-5,7-8,12,17H,3,6,9-11H2,(H,23,25)