methyl 2-[2-[4-(diphenylmethyl)piperazin-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-[4-(diphenylmethyl)piperazin-1-yl]ethanoylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-benzhydrylpiperazin-1-yl)acetyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-(diphenylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-benzhydrylpiperazin-1-yl)acetyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzhydrylpiperazino)acetyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H29N3O3S/c1-19-17-22(26(31)32-2)25(33-19)27-23(30)18-28-13-15-29(16-14-28)24(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-12,17,24H,13-16,18H2,1-2H3,(H,27,30)