ethyl 2-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(2,6-dimethylpiperidino)sulfonylphenyl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H33N3O4S3 MolecularWeight: 571.77432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4C(CCCC4C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)N4C(CCCC4C)C

InChI

InChI=1S/C28H33N3O4S3/c1-5-35-27(32)25-24(21-12-7-6-8-13-21)20(4)37-26(25)30-28(36)29-22-14-16-23(17-15-22)38(33,34)31-18(2)10-9-11-19(31)3/h6-8,12-19H,5,9-11H2,1-4H3,(H2,29,30,36)