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

Systemtic Name: N-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-chloranyl-phenyl]carbamothioyl]butanamide Openeye Name: N-[[2-chloro-4-(1,3-dioxoisoindolin-2-yl)phenyl]carbamothioyl]butanamide CAS Name: N-[[2-chloro-4-(1,3-dioxo-2-isoindolyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[[2-chloro-4-(1,3-dioxoisoindol-2-yl)phenyl]carbamothioyl]butanamide Traditional Name: N-[(2-chloro-4-phthalimido-phenyl)thiocarbamoyl]butyramide Formula: C19H16ClN3O3S MolecularWeight: 401.86664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3O3S/c1-2-5-16(24)22-19(27)21-15-9-8-11(10-14(15)20)23-17(25)12-6-3-4-7-13(12)18(23)26/h3-4,6-10H,2,5H2,1H3,(H2,21,22,24,27)