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

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]pentanamide Traditional Name: N-[(4-phthalimidophenyl)thiocarbamoyl]valeramide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-2-3-8-17(24)22-20(27)21-13-9-11-14(12-10-13)23-18(25)15-6-4-5-7-16(15)19(23)26/h4-7,9-12H,2-3,8H2,1H3,(H2,21,22,24,27)