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

Systemtic Name: methyl 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(2-ethoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(4-o-phenetylpiperazine-1-carbothioyl)amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H27N3O3S2 MolecularWeight: 481.63018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O3S2/c1-3-31-21-12-8-7-11-20(21)27-13-15-28(16-14-27)25(32)26-23-19(24(29)30-2)17-22(33-23)18-9-5-4-6-10-18/h4-12,17H,3,13-16H2,1-2H3,(H,26,32)