4-chloranyl-N-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbamothioyl]butanamide

Systemtic Name: 4-chloranyl-N-[[2-methyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbamothioyl]butanamide Openeye Name: 4-chloro-N-[(2-methyl-1,3-dioxo-isoindolin-5-yl)carbamothioyl]butanamide CAS Name: 4-chloro-N-[[(2-methyl-1,3-dioxo-5-isoindolyl)amino]-sulfanylidenemethyl]butanamide IUPAC Name: 4-chloro-N-[(2-methyl-1,3-dioxoisoindol-5-yl)carbamothioyl]butanamide Traditional Name: 4-chloro-N-[(1,3-diketo-2-methyl-isoindolin-5-yl)thiocarbamoyl]butyramide Formula: C14H14ClN3O3S MolecularWeight: 339.79726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=S)NC(=O)CCCCl

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)NC(=S)NC(=O)CCCCl

InChI

InChI=1S/C14H14ClN3O3S/c1-18-12(20)9-5-4-8(7-10(9)13(18)21)16-14(22)17-11(19)3-2-6-15/h4-5,7H,2-3,6H2,1H3,(H2,16,17,19,22)