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

Systemtic Name: ethyl 2-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(3-morpholinosulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[3-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3-morpholinosulfonylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H27N3O5S3 MolecularWeight: 545.69398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H27N3O5S3/c1-2-33-24(29)22-17-20(15-18-7-4-3-5-8-18)35-23(22)27-25(34)26-19-9-6-10-21(16-19)36(30,31)28-11-13-32-14-12-28/h3-10,16-17H,2,11-15H2,1H3,(H2,26,27,34)