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

Systemtic Name: ethyl 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]carbothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(2-ethoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-o-phenetylpiperazine-1-carbothioyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H31N3O3S2 MolecularWeight: 509.68334

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(C(=C(S3)C)C4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C27H31N3O3S2/c1-4-32-22-14-10-9-13-21(22)29-15-17-30(18-16-29)27(34)28-25-24(26(31)33-5-2)23(19(3)35-25)20-11-7-6-8-12-20/h6-14H,4-5,15-18H2,1-3H3,(H,28,34)