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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O5S3/c1-16-20(17-7-4-3-5-8-17)21(23(28)31-2)22(34-16)26-24(33)25-18-9-6-10-19(15-18)35(29,30)27-11-13-32-14-12-27/h3-10,15H,11-14H2,1-2H3,(H2,25,26,33)