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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-[[4-(1-piperidyl)phenyl]carbamothioyl]propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[[4-(1-piperidinyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-[(4-piperidin-1-ylphenyl)carbamothioyl]propanamide Traditional Name: 3-phthalimido-N-[(4-piperidinophenyl)thiocarbamoyl]propionamide Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H24N4O3S/c28-20(12-15-27-21(29)18-6-2-3-7-19(18)22(27)30)25-23(31)24-16-8-10-17(11-9-16)26-13-4-1-5-14-26/h2-3,6-11H,1,4-5,12-15H2,(H2,24,25,28,31)