methyl 4-(4-methylphenyl)-2-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)-2-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(1-naphthylmethyl)piperazin-1-yl]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[2-[4-(1-naphthalenylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-2-[[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(1-naphthylmethyl)piperazino]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C30H31N3O3S MolecularWeight: 513.65044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C30H31N3O3S/c1-21-10-12-23(13-11-21)26-20-37-29(28(26)30(35)36-2)31-27(34)19-33-16-14-32(15-17-33)18-24-8-5-7-22-6-3-4-9-25(22)24/h3-13,20H,14-19H2,1-2H3,(H,31,34)