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

Systemtic Name: methyl 5-methyl-2-[2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[2-[4-[4-(methylthio)benzyl]piperazino]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)SC)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=O)CN2CCN(CC2)CC3=CC=C(C=C3)SC)C(=O)OC

InChI

InChI=1S/C21H27N3O3S2/c1-15-12-18(21(26)27-2)20(29-15)22-19(25)14-24-10-8-23(9-11-24)13-16-4-6-17(28-3)7-5-16/h4-7,12H,8-11,13-14H2,1-3H3,(H,22,25)