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

Systemtic Name: ethyl 2-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(2,6-dimethyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(2,6-dimethyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-(2,6-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(2,6-dimethylpiperidino)sulfonylphenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H31N3O4S3 MolecularWeight: 557.74774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31N3O4S3/c1-4-34-26(31)23-17-24(20-11-6-5-7-12-20)36-25(23)29-27(35)28-21-13-15-22(16-14-21)37(32,33)30-18(2)9-8-10-19(30)3/h5-7,11-19H,4,8-10H2,1-3H3,(H2,28,29,35)