1-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea

Systemtic Name: 1-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea Openeye Name: 1-[3-(1,3-dioxoisoindolin-2-yl)propanoylamino]-3-(2-ethyl-6-methyl-phenyl)thiourea CAS Name: 1-[[3-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-3-(2-ethyl-6-methylphenyl)thiourea IUPAC Name: 1-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-3-(2-ethyl-6-methylphenyl)thiourea Traditional Name: 1-(2-ethyl-6-methyl-phenyl)-3-(3-phthalimidopropanoylamino)thiourea Formula: C21H22N4O3S MolecularWeight: 410.48938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=S)NNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C21H22N4O3S/c1-3-14-8-6-7-13(2)18(14)22-21(29)24-23-17(26)11-12-25-19(27)15-9-4-5-10-16(15)20(25)28/h4-10H,3,11-12H2,1-2H3,(H,23,26)(H2,22,24,29)