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

Systemtic Name: methyl 5-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[(4-morpholinosulfonylphenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-(4-morpholinylsulfonyl)anilino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(4-morpholin-4-ylsulfonylphenyl)carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[(4-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=C(C=C2)S(=O)(=O)N3CCOCC3)C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

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

InChI

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