methyl 5-ethyl-2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-ethyl-2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[(4-morpholinosulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[(4-morpholinosulfonylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H23N3O5S3 MolecularWeight: 469.59802

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)OC

InChI

InChI=1S/C19H23N3O5S3/c1-3-14-12-16(18(23)26-2)17(29-14)21-19(28)20-13-4-6-15(7-5-13)30(24,25)22-8-10-27-11-9-22/h4-7,12H,3,8-11H2,1-2H3,(H2,20,21,28)