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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S/c1-12(2)11-17(24)22-20(27)21-13-7-9-14(10-8-13)23-18(25)15-5-3-4-6-16(15)19(23)26/h3-10,12H,11H2,1-2H3,(H2,21,22,24,27)