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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-pentoxyphenyl)carbamothioyl]propanamide Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-N-[(4-pentoxyphenyl)carbamothioyl]propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[(4-pentoxyanilino)-sulfanylidenemethyl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-[(4-pentoxyphenyl)carbamothioyl]propanamide Traditional Name: N-[(4-amoxyphenyl)thiocarbamoyl]-3-phthalimido-propionamide Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)NC(=S)NC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C23H25N3O4S/c1-2-3-6-15-30-17-11-9-16(10-12-17)24-23(31)25-20(27)13-14-26-21(28)18-7-4-5-8-19(18)22(26)29/h4-5,7-12H,2-3,6,13-15H2,1H3,(H2,24,25,27,31)