1-(5-bromanyl-2-methoxy-phenyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butane-1,4-dione

Systemtic Name: 1-(5-bromanyl-2-methoxy-phenyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butane-1,4-dione Openeye Name: 1-(5-bromo-2-methoxy-phenyl)-4-(4-thiazol-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(5-bromo-2-methoxyphenyl)-4-[4-(2-thiazolyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(5-bromo-2-methoxyphenyl)-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butane-1,4-dione Traditional Name: 1-(5-bromo-2-methoxy-phenyl)-4-(4-thiazol-2-ylpiperazino)butane-1,4-dione Formula: C18H20BrN3O3S MolecularWeight: 438.3387

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)N2CCN(CC2)C3=NC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)N2CCN(CC2)C3=NC=CS3

InChI

InChI=1S/C18H20BrN3O3S/c1-25-16-4-2-13(19)12-14(16)15(23)3-5-17(24)21-7-9-22(10-8-21)18-20-6-11-26-18/h2,4,6,11-12H,3,5,7-10H2,1H3