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

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(4-phenylmethoxyphenyl)carbamothioyl]propanamide Openeye Name: N-[(4-benzyloxyphenyl)carbamothioyl]-3-(1,3-dioxoisoindolin-2-yl)propanamide CAS Name: 3-(1,3-dioxo-2-isoindolyl)-N-[(4-phenylmethoxyanilino)-sulfanylidenemethyl]propanamide IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-N-[(4-phenylmethoxyphenyl)carbamothioyl]propanamide Traditional Name: N-[(4-benzoxyphenyl)thiocarbamoyl]-3-phthalimido-propionamide Formula: C25H21N3O4S MolecularWeight: 459.51694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=S)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=S)NC(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H21N3O4S/c29-22(14-15-28-23(30)20-8-4-5-9-21(20)24(28)31)27-25(33)26-18-10-12-19(13-11-18)32-16-17-6-2-1-3-7-17/h1-13H,14-16H2,(H2,26,27,29,33)