methyl 4-[4-[(2-azanyl-1,3-benzothiazol-5-yl)carbonyl]piperazin-1-yl]benzoate

Systemtic Name: methyl 4-[4-[(2-azanyl-1,3-benzothiazol-5-yl)carbonyl]piperazin-1-yl]benzoate Openeye Name: methyl 4-[4-(2-amino-1,3-benzothiazole-5-carbonyl)piperazin-1-yl]benzoate CAS Name: 4-[4-[(2-amino-1,3-benzothiazol-5-yl)-oxomethyl]-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[4-(2-amino-1,3-benzothiazole-5-carbonyl)piperazin-1-yl]benzoate Traditional Name: 4-[4-(2-amino-1,3-benzothiazole-5-carbonyl)piperazino]benzoic acid methyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SC(=N4)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)SC(=N4)N

InChI

InChI=1S/C20H20N4O3S/c1-27-19(26)13-2-5-15(6-3-13)23-8-10-24(11-9-23)18(25)14-4-7-17-16(12-14)22-20(21)28-17/h2-7,12H,8-11H2,1H3,(H2,21,22)