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

Systemtic Name: S-[(E)-[2-(3-methyl-1-oxidanylidene-butan-2-yl)-3-oxidanylidene-isoindol-1-ylidene]amino] carbamothioate Openeye Name: S-[(E)-[2-(1-formyl-2-methyl-propyl)-3-oxo-isoindolin-1-ylidene]amino] carbamothioate CAS Name: carbamothioic acid S-[(E)-[2-(3-methyl-1-oxobutan-2-yl)-3-oxo-1-isoindolylidene]amino] ester IUPAC Name: S-[(E)-[2-(3-methyl-1-oxobutan-2-yl)-3-oxoisoindol-1-ylidene]amino] carbamothioate Traditional Name: thiocarbamic acid S-[(E)-[2-(1-formyl-2-methyl-propyl)-3-keto-isoindolin-1-ylidene]amino] ester Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O3S/c1-8(2)11(7-18)17-12(16-21-14(15)20)9-5-3-4-6-10(9)13(17)19/h3-8,11H,1-2H3,(H2,15,20)/b16-12+