S-[(Z)-[2-(4-methyl-1-oxidanylidene-pentan-2-yl)-3-oxidanylidene-isoindol-1-ylidene]amino] carbamothioate

Systemtic Name: S-[(Z)-[2-(4-methyl-1-oxidanylidene-pentan-2-yl)-3-oxidanylidene-isoindol-1-ylidene]amino] carbamothioate Openeye Name: S-[(Z)-[2-(1-formyl-3-methyl-butyl)-3-oxo-isoindolin-1-ylidene]amino] carbamothioate CAS Name: carbamothioic acid S-[(Z)-[2-(4-methyl-1-oxopentan-2-yl)-3-oxo-1-isoindolylidene]amino] ester IUPAC Name: S-[(Z)-[2-(4-methyl-1-oxopentan-2-yl)-3-oxoisoindol-1-ylidene]amino] carbamothioate Traditional Name: thiocarbamic acid S-[(Z)-[2-(1-formyl-3-methyl-butyl)-3-keto-isoindolin-1-ylidene]amino] ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O3S/c1-9(2)7-10(8-19)18-13(17-22-15(16)21)11-5-3-4-6-12(11)14(18)20/h3-6,8-10H,7H2,1-2H3,(H2,16,21)/b17-13-