methyl 2-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]carbothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[[4-(4-sec-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylate CAS Name: 2-[[[4-(4-butan-2-ylphenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(4-butan-2-ylphenyl)sulfonylpiperazine-1-carbothioyl]amino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[[4-(4-sec-butylphenyl)sulfonylpiperazine-1-carbothioyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C27H38N4O5S3 MolecularWeight: 594.80942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)N(CC)CC)C)C(=O)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=C(C(=C(S3)C(=O)N(CC)CC)C)C(=O)OC

InChI

InChI=1S/C27H38N4O5S3/c1-7-18(4)20-10-12-21(13-11-20)39(34,35)31-16-14-30(15-17-31)27(37)28-24-22(26(33)36-6)19(5)23(38-24)25(32)29(8-2)9-3/h10-13,18H,7-9,14-17H2,1-6H3,(H,28,37)