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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=CC(=C3)C(=S)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC=CC(=C3)C(=S)N

InChI

InChI=1S/C16H12N2O2S/c17-14(21)11-5-3-4-10(8-11)9-18-15(19)12-6-1-2-7-13(12)16(18)20/h1-8H,9H2,(H2,17,21)