S-[(E)-[3-oxidanylidene-2-(1-oxidanylidenepropan-2-yl)isoindol-1-ylidene]amino] carbamothioate

Systemtic Name: S-[(E)-[3-oxidanylidene-2-(1-oxidanylidenepropan-2-yl)isoindol-1-ylidene]amino] carbamothioate Openeye Name: S-[(E)-[2-(1-methyl-2-oxo-ethyl)-3-oxo-isoindolin-1-ylidene]amino] carbamothioate CAS Name: carbamothioic acid S-[(E)-[3-oxo-2-(1-oxopropan-2-yl)-1-isoindolylidene]amino] ester IUPAC Name: S-[(E)-[3-oxo-2-(1-oxopropan-2-yl)isoindol-1-ylidene]amino] carbamothioate Traditional Name: thiocarbamic acid S-[(E)-[3-keto-2-(2-keto-1-methyl-ethyl)isoindolin-1-ylidene]amino] ester Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=O)N1C(=NSC(=O)N)C2=CC=CC=C2C1=O

Isomeric SMILES

CC(C=O)N1/C(=N/SC(=O)N)/C2=CC=CC=C2C1=O

InChI

InChI=1S/C12H11N3O3S/c1-7(6-16)15-10(14-19-12(13)18)8-4-2-3-5-9(8)11(15)17/h2-7H,1H3,(H2,13,18)/b14-10+