2-butyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-butyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: 2-butyl-N-[4-[(2,5-dimethylphenyl)thio]phenyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-N-[4-[(2,5-dimethylphenyl)thio]phenyl]-1,3-diketo-isoindoline-5-carboxamide Formula: C27H26N2O3S MolecularWeight: 458.57194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)SC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC=C(C=C3)SC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C27H26N2O3S/c1-4-5-14-29-26(31)22-13-8-19(16-23(22)27(29)32)25(30)28-20-9-11-21(12-10-20)33-24-15-17(2)6-7-18(24)3/h6-13,15-16H,4-5,14H2,1-3H3,(H,28,30)