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

Systemtic Name: methyl 2-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(3-morpholinosulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[3-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(3-morpholin-4-ylsulfonylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3-morpholinosulfonylphenyl)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C24H25N3O5S3 MolecularWeight: 531.6674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O5S3/c1-31-23(28)21-16-19(14-17-6-3-2-4-7-17)34-22(21)26-24(33)25-18-8-5-9-20(15-18)35(29,30)27-10-12-32-13-11-27/h2-9,15-16H,10-14H2,1H3,(H2,25,26,33)