S-[(Z)-[3-oxidanylidene-2-(3-oxidanylidenepropyl)isoindol-1-ylidene]amino] carbamothioate

Systemtic Name: S-[(Z)-[3-oxidanylidene-2-(3-oxidanylidenepropyl)isoindol-1-ylidene]amino] carbamothioate Openeye Name: S-[(Z)-[3-oxo-2-(3-oxopropyl)isoindolin-1-ylidene]amino] carbamothioate CAS Name: carbamothioic acid S-[(Z)-[3-oxo-2-(3-oxopropyl)-1-isoindolylidene]amino] ester IUPAC Name: S-[(Z)-[3-oxo-2-(3-oxopropyl)isoindol-1-ylidene]amino] carbamothioate Traditional Name: thiocarbamic acid S-[(Z)-[3-keto-2-(3-ketopropyl)isoindolin-1-ylidene]amino] ester Formula: C12H11N3O3S MolecularWeight: 277.29904

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NSC(=O)N)N(C2=O)CCC=O

Isomeric SMILES

C1=CC=C2C(=C1)/C(=N/SC(=O)N)/N(C2=O)CCC=O

InChI

InChI=1S/C12H11N3O3S/c13-12(18)19-14-10-8-4-1-2-5-9(8)11(17)15(10)6-3-7-16/h1-2,4-5,7H,3,6H2,(H2,13,18)/b14-10-