1-[3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propanoylamino]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[[3-(5-bromo-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoylamino]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[3-(5-bromo-1,3-diketo-isoindolin-2-yl)propanoylamino]-3-p-cumenyl-thiourea Formula: C21H21BrN4O3S MolecularWeight: 489.38544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=S)NNC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C21H21BrN4O3S/c1-12(2)13-3-6-15(7-4-13)23-21(30)25-24-18(27)9-10-26-19(28)16-8-5-14(22)11-17(16)20(26)29/h3-8,11-12H,9-10H2,1-2H3,(H,24,27)(H2,23,25,30)