methyl 4-[[1,3-bis(oxidanylidene)isoindol-4-yl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[1,3-bis(oxidanylidene)isoindol-4-yl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[(1,3-dioxoisoindolin-4-yl)carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[(1,3-dioxo-4-isoindolyl)amino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1,3-dioxoisoindol-4-yl)carbamothioylcarbamoyl]benzoate Traditional Name: 4-[(1,3-diketoisoindolin-4-yl)thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H13N3O5S MolecularWeight: 383.37792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C(=O)NC3=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC3=C2C(=O)NC3=O

InChI

InChI=1S/C18H13N3O5S/c1-26-17(25)10-7-5-9(6-8-10)14(22)21-18(27)19-12-4-2-3-11-13(12)16(24)20-15(11)23/h2-8H,1H3,(H,20,23,24)(H2,19,21,22,27)