methyl 4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]benzoate CAS Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-(1,3-benzothiazol-2-ylmethyl)piperazino]methyl]benzoic acid methyl ester Formula: C21H23N3O2S MolecularWeight: 381.49122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CN2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H23N3O2S/c1-26-21(25)17-8-6-16(7-9-17)14-23-10-12-24(13-11-23)15-20-22-18-4-2-3-5-19(18)27-20/h2-9H,10-15H2,1H3