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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O3S/c1-11(2)9-17(25)23-20(28)22-16-8-7-12(10-15(16)21)24-18(26)13-5-3-4-6-14(13)19(24)27/h3-8,10-11H,9H2,1-2H3,(H2,22,23,25,28)