4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzenecarbothioamide

Systemtic Name: 4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzenecarbothioamide Openeye Name: 4-(5-methyl-1,3-dioxo-isoindolin-2-yl)benzenecarbothioamide CAS Name: 4-(5-methyl-1,3-dioxo-2-isoindolyl)benzenecarbothioamide IUPAC Name: 4-(5-methyl-1,3-dioxoisoindol-2-yl)benzenecarbothioamide Traditional Name: 4-(1,3-diketo-5-methyl-isoindolin-2-yl)thiobenzamide Formula: C16H12N2O2S MolecularWeight: 296.34368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12N2O2S/c1-9-2-7-12-13(8-9)16(20)18(15(12)19)11-5-3-10(4-6-11)14(17)21/h2-8H,1H3,(H2,17,21)