methyl 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbothioylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H22FN3O4S3 MolecularWeight: 471.589083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C19H22FN3O4S3/c1-12-13(2)29-17(16(12)18(24)27-3)21-19(28)22-8-10-23(11-9-22)30(25,26)15-6-4-14(20)5-7-15/h4-7H,8-11H2,1-3H3,(H,21,28)