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

Systemtic Name: 1-[3-[5-bromanyl-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-3-(3-methoxyphenyl)thiourea Openeye Name: 1-[3-(5-bromo-1,3-dioxo-isoindolin-2-yl)propanoylamino]-3-(3-methoxyphenyl)thiourea CAS Name: 1-[[3-(5-bromo-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-3-(3-methoxyphenyl)thiourea IUPAC Name: 1-[3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoylamino]-3-(3-methoxyphenyl)thiourea Traditional Name: 1-[3-(5-bromo-1,3-diketo-isoindolin-2-yl)propanoylamino]-3-(3-methoxyphenyl)thiourea Formula: C19H17BrN4O4S MolecularWeight: 477.33168

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)NNC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)NNC(=O)CCN2C(=O)C3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C19H17BrN4O4S/c1-28-13-4-2-3-12(10-13)21-19(29)23-22-16(25)7-8-24-17(26)14-6-5-11(20)9-15(14)18(24)27/h2-6,9-10H,7-8H2,1H3,(H,22,25)(H2,21,23,29)