2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-pentoxyphenyl)carbamothioyl]ethanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-pentoxyphenyl)carbamothioyl]ethanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-[(4-pentoxyphenyl)carbamothioyl]acetamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-[(4-pentoxyanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-[(4-pentoxyphenyl)carbamothioyl]acetamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-2-phthalimido-acetamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23N3O4S/c1-2-3-6-13-29-16-11-9-15(10-12-16)23-22(30)24-19(26)14-25-20(27)17-7-4-5-8-18(17)21(25)28/h4-5,7-12H,2-3,6,13-14H2,1H3,(H2,23,24,26,30)