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

Systemtic Name: methyl 2-[(4-morpholin-4-ylcarbonylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(morpholine-4-carbonyl)phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H23N3O4S2 MolecularWeight: 481.58712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O4S2/c1-30-23(29)19-15-20(16-5-3-2-4-6-16)33-21(19)26-24(32)25-18-9-7-17(8-10-18)22(28)27-11-13-31-14-12-27/h2-10,15H,11-14H2,1H3,(H2,25,26,32)