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

Systemtic Name: methyl 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(3,5-dimethyl-1-piperidyl)sulfonyl]phenyl]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(3,5-dimethyl-1-piperidinyl)sulfonyl]anilino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[4-(3,5-dimethylpiperidino)sulfonylphenyl]thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H31N3O4S3 MolecularWeight: 509.70494

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CC(CC(C3)C)C)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CC(CC(C3)C)C)C

InChI

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