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

Systemtic Name: ethyl 2-[[4-(2-ethoxyphenyl)piperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-(2-ethoxyphenyl)-1-piperazinyl]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-(2-ethoxyphenyl)piperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(4-o-phenetylpiperazine-1-carbothioyl)amino]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)CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=C(C=C(S3)CC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C27H31N3O3S2/c1-3-32-24-13-9-8-12-23(24)29-14-16-30(17-15-29)27(34)28-25-22(26(31)33-4-2)19-21(35-25)18-20-10-6-5-7-11-20/h5-13,19H,3-4,14-18H2,1-2H3,(H,28,34)