methyl 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-tert-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C23H31N3O4S3 MolecularWeight: 509.70494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C(=O)OC

InChI

InChI=1S/C23H31N3O4S3/c1-6-17-15-19(21(27)30-5)20(32-17)24-22(31)25-11-13-26(14-12-25)33(28,29)18-9-7-16(8-10-18)23(2,3)4/h7-10,15H,6,11-14H2,1-5H3,(H,24,31)