2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate

Systemtic Name: 2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate Openeye Name: 2-[4-(benzofuran-2-ylmethyl)piperazin-1-yl]ethyl 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate CAS Name: 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-1-piperazinecarboxylic acid 2-[4-(2-benzofuranylmethyl)-1-piperazinyl]ethyl ester IUPAC Name: 2-[4-(1-benzofuran-2-ylmethyl)piperazin-1-yl]ethyl 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylate Traditional Name: 4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine-1-carboxylic acid 2-[4-(benzofuran-2-ylmethyl)piperazino]ethyl ester Formula: C28H32N6O3S MolecularWeight: 532.65708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC(=O)N2CCN(CC2)C3=NC(=NS3)C4=CC=CC=C4)CC5=CC6=CC=CC=C6O5

Isomeric SMILES

C1CN(CCN1CCOC(=O)N2CCN(CC2)C3=NC(=NS3)C4=CC=CC=C4)CC5=CC6=CC=CC=C6O5

InChI

InChI=1S/C28H32N6O3S/c35-28(34-16-14-33(15-17-34)27-29-26(30-38-27)22-6-2-1-3-7-22)36-19-18-31-10-12-32(13-11-31)21-24-20-23-8-4-5-9-25(23)37-24/h1-9,20H,10-19,21H2