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

Systemtic Name: methyl 2-[2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-[4-(methylthio)benzyl]piperazino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H29N3O3S2 MolecularWeight: 495.65676

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CC4=CC=C(C=C4)SC

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CC4=CC=C(C=C4)SC

InChI

InChI=1S/C26H29N3O3S2/c1-32-26(31)24-22(20-6-4-3-5-7-20)18-34-25(24)27-23(30)17-29-14-12-28(13-15-29)16-19-8-10-21(33-2)11-9-19/h3-11,18H,12-17H2,1-2H3,(H,27,30)