ethyl 4-methyl-2-[(4-piperidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(4-piperidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-(1-piperidylsulfonyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-methyl-2-[[[4-(1-piperidinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-piperidin-1-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-methyl-2-[(4-piperidinosulfonylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H25N3O4S3 MolecularWeight: 467.6252

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H25N3O4S3/c1-3-27-19(24)17-14(2)13-29-18(17)22-20(28)21-15-7-9-16(10-8-15)30(25,26)23-11-5-4-6-12-23/h7-10,13H,3-6,11-12H2,1-2H3,(H2,21,22,28)