ethyl 5-methyl-2-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]carbothioylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-methyl-2-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]carbothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[4-(o-tolylmethyl)piperazine-1-carbothioyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-[(2-methylphenyl)methyl]-1-piperazinyl]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[4-[(2-methylphenyl)methyl]piperazine-1-carbothioyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-(2-methylbenzyl)piperazine-1-carbothioyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H31N3O2S2 MolecularWeight: 493.68394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)CC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)N3CCN(CC3)CC4=CC=CC=C4C

InChI

InChI=1S/C27H31N3O2S2/c1-4-32-26(31)24-23(21-11-6-5-7-12-21)20(3)34-25(24)28-27(33)30-16-14-29(15-17-30)18-22-13-9-8-10-19(22)2/h5-13H,4,14-18H2,1-3H3,(H,28,33)