methyl 4-[[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxidanylidene-butanoyl]amino]benzoate

Systemtic Name: methyl 4-[[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxidanylidene-butanoyl]amino]benzoate Openeye Name: methyl 4-[[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxo-butanoyl]amino]benzoate CAS Name: 4-[[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]-1,4-dioxobutyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-4-oxobutanoyl]amino]benzoate Traditional Name: 4-[[4-[4-(1,2-benzothiazol-3-yl)piperazino]-4-keto-butanoyl]amino]benzoic acid methyl ester Formula: C23H24N4O4S MolecularWeight: 452.52606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCC(=O)N2CCN(CC2)C3=NSC4=CC=CC=C43

InChI

InChI=1S/C23H24N4O4S/c1-31-23(30)16-6-8-17(9-7-16)24-20(28)10-11-21(29)26-12-14-27(15-13-26)22-18-4-2-3-5-19(18)32-25-22/h2-9H,10-15H2,1H3,(H,24,28)