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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-piperidin-1-ylphenyl)carbamothioyl]ethanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-[[4-(1-piperidyl)phenyl]carbamothioyl]acetamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-[[4-(1-piperidinyl)anilino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-[(4-piperidin-1-ylphenyl)carbamothioyl]acetamide Traditional Name: 2-phthalimido-N-[(4-piperidinophenyl)thiocarbamoyl]acetamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22N4O3S/c27-19(14-26-20(28)17-6-2-3-7-18(17)21(26)29)24-22(30)23-15-8-10-16(11-9-15)25-12-4-1-5-13-25/h2-3,6-11H,1,4-5,12-14H2,(H2,23,24,27,30)