ethyl 4-cyclopropyl-2-[2-[4-(diphenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-cyclopropyl-2-[2-[4-(diphenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-benzhydrylpiperazin-1-yl)acetyl]amino]-4-cyclopropyl-thiophene-3-carboxylate CAS Name: 4-cyclopropyl-2-[[2-[4-(diphenylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-benzhydrylpiperazin-1-yl)acetyl]amino]-4-cyclopropylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzhydrylpiperazino)acetyl]amino]-4-cyclopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H33N3O3S/c1-2-35-29(34)26-24(21-13-14-21)20-36-28(26)30-25(33)19-31-15-17-32(18-16-31)27(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,20-21,27H,2,13-19H2,1H3,(H,30,33)