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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-butylphenyl)carbamothioyl]propanamide Openeye Name: N-[(4-butylphenyl)carbamothioyl]-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[(4-butylanilino)-sulfanylidenemethyl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[(4-butylphenyl)carbamothioyl]-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[(4-butylphenyl)thiocarbamoyl]-3-phthalimido-propionamide Formula: C22H23N3O3S MolecularWeight: 409.50132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23N3O3S/c1-2-3-6-15-9-11-16(12-10-15)23-22(29)24-19(26)13-14-25-20(27)17-7-4-5-8-18(17)21(25)28/h4-5,7-12H,2-3,6,13-14H2,1H3,(H2,23,24,26,29)