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

Systemtic Name: ethyl 2-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(2,5-dimethoxyphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H29N3O6S3 MolecularWeight: 575.71996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H29N3O6S3/c1-4-35-25(30)20-17-22(18-8-6-5-7-9-18)37-24(20)27-26(36)28-12-14-29(15-13-28)38(31,32)23-16-19(33-2)10-11-21(23)34-3/h5-11,16-17H,4,12-15H2,1-3H3,(H,27,36)