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

Systemtic Name: ethyl 2-[(4-morpholin-4-ylcarbonylphenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O4S2/c1-2-32-24(30)20-16-21(17-6-4-3-5-7-17)34-22(20)27-25(33)26-19-10-8-18(9-11-19)23(29)28-12-14-31-15-13-28/h3-11,16H,2,12-15H2,1H3,(H2,26,27,33)