ethyl 2-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C27H31N3O6S3 MolecularWeight: 589.74654

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)N3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C27H31N3O6S3/c1-4-36-26(31)22-18-21(16-19-8-6-5-7-9-19)38-25(22)28-27(37)29-12-14-30(15-13-29)39(32,33)24-17-20(34-2)10-11-23(24)35-3/h5-11,17-18H,4,12-16H2,1-3H3,(H,28,37)