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

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]pentanamide Openeye Name: N-[[2-chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[2-chloro-4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[(2-chloro-4-phthalimido-phenyl)thiocarbamoyl]valeramide Formula: C20H18ClN3O3S MolecularWeight: 415.89322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O3S/c1-2-3-8-17(25)23-20(28)22-16-10-9-12(11-15(16)21)24-18(26)13-6-4-5-7-14(13)19(24)27/h4-7,9-11H,2-3,8H2,1H3,(H2,22,23,25,28)