O-[2-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] N-(4-cyanophenyl)carbamothioate

Systemtic Name: O-[2-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] N-(4-cyanophenyl)carbamothioate Openeye Name: O-[2-(5-methyl-1,3-dioxo-isoindolin-2-yl)ethyl] N-(4-cyanophenyl)carbamothioate CAS Name: N-(4-cyanophenyl)carbamothioic acid O-[2-(5-methyl-1,3-dioxo-2-isoindolyl)ethyl] ester IUPAC Name: O-[2-(5-methyl-1,3-dioxoisoindol-2-yl)ethyl] N-(4-cyanophenyl)carbamothioate Traditional Name: N-(4-cyanophenyl)thiocarbamic acid O-[2-(1,3-diketo-5-methyl-isoindolin-2-yl)ethyl] ester Formula: C19H15N3O3S MolecularWeight: 365.4057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCOC(=S)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCOC(=S)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H15N3O3S/c1-12-2-7-15-16(10-12)18(24)22(17(15)23)8-9-25-19(26)21-14-5-3-13(11-20)4-6-14/h2-7,10H,8-9H2,1H3,(H,21,26)