N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]hexanamide Openeye Name: N-[[2-chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]hexanamide CAS Name: N-[[2-chloro-4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]hexanamide Traditional Name: N-[(2-chloro-4-phthalimido-phenyl)thiocarbamoyl]hexanamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O)Cl

Isomeric SMILES

CCCCCC(=O)NC(=S)NC1=C(C=C(C=C1)N2C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-2-3-4-9-18(26)24-21(29)23-17-11-10-13(12-16(17)22)25-19(27)14-7-5-6-8-15(14)20(25)28/h5-8,10-12H,2-4,9H2,1H3,(H2,23,24,26,29)