1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-3-(4-butylphenyl)thiourea

Systemtic Name: 1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-3-(4-butylphenyl)thiourea Openeye Name: 1-(4-butylphenyl)-3-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[(2-phthalimidoacetyl)amino]thiourea Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

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