4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-(phenylsulfanylmethyl)phenyl]butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[4-(phenylsulfanylmethyl)phenyl]butanamide Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide CAS Name: 4-(1,3-dioxo-2-isoindolyl)-N-[4-[(phenylthio)methyl]phenyl]butanamide IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-N-[4-(phenylsulfanylmethyl)phenyl]butanamide Traditional Name: N-[4-[(phenylthio)methyl]phenyl]-4-phthalimido-butyramide Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCC2=CC=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)SCC2=CC=C(C=C2)NC(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H22N2O3S/c28-23(11-6-16-27-24(29)21-9-4-5-10-22(21)25(27)30)26-19-14-12-18(13-15-19)17-31-20-7-2-1-3-8-20/h1-5,7-10,12-15H,6,11,16-17H2,(H,26,28)