4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]butanamide

Systemtic Name: 4-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]butanamide Openeye Name: 4-(5-methyl-1,3-dioxo-isoindolin-2-yl)-N-[3-(2-thioxo-1H-imidazol-3-yl)phenyl]butanamide CAS Name: 4-(5-methyl-1,3-dioxo-2-isoindolyl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]butanamide IUPAC Name: 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]butanamide Traditional Name: 4-(1,3-diketo-5-methyl-isoindolin-2-yl)-N-[3-(2-thioxo-4-imidazolin-1-yl)phenyl]butyramide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC=CC(=C3)N4C=CNC4=S

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCC(=O)NC3=CC=CC(=C3)N4C=CNC4=S

InChI

InChI=1S/C22H20N4O3S/c1-14-7-8-17-18(12-14)21(29)26(20(17)28)10-3-6-19(27)24-15-4-2-5-16(13-15)25-11-9-23-22(25)30/h2,4-5,7-9,11-13H,3,6,10H2,1H3,(H,23,30)(H,24,27)