methyl 2-[2-[4-(diphenylmethyl)piperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[4-(diphenylmethyl)piperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-benzhydrylpiperazin-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(diphenylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-benzhydrylpiperazin-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzhydrylpiperazino)acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C31H31N3O3S MolecularWeight: 525.66114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H31N3O3S/c1-37-31(36)28-26(23-11-5-2-6-12-23)22-38-30(28)32-27(35)21-33-17-19-34(20-18-33)29(24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-16,22,29H,17-21H2,1H3,(H,32,35)