methyl 4-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzoate

Systemtic Name: methyl 4-[4-(6-bromanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]carbonylbenzoate Openeye Name: methyl 4-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate CAS Name: 4-[[4-(6-bromo-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoate Traditional Name: 4-[4-(6-bromo-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzoic acid methyl ester Formula: C20H18BrN3O3S MolecularWeight: 460.34422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C20H18BrN3O3S/c1-27-19(26)14-4-2-13(3-5-14)18(25)23-8-10-24(11-9-23)20-22-16-7-6-15(21)12-17(16)28-20/h2-7,12H,8-11H2,1H3