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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-butoxyphenyl)carbamothioyl]propanamide Openeye Name: N-[(4-butoxyphenyl)carbamothioyl]-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: N-[(4-butoxyanilino)-sulfanylidenemethyl]-3-(1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[(4-butoxyphenyl)carbamothioyl]-3-(1,3-dioxoisoindol-2-yl)propanamide Traditional Name: N-[(4-butoxyphenyl)thiocarbamoyl]-3-phthalimido-propionamide Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

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