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

Systemtic Name: ethyl 5-methyl-2-[(4-morpholin-4-ylcarbonylphenyl)carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-(morpholine-4-carbonyl)phenyl]thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H27N3O4S2 MolecularWeight: 509.64028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCOCC4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCOCC4

InChI

InChI=1S/C26H27N3O4S2/c1-3-33-25(31)22-21(18-7-5-4-6-8-18)17(2)35-23(22)28-26(34)27-20-11-9-19(10-12-20)24(30)29-13-15-32-16-14-29/h4-12H,3,13-16H2,1-2H3,(H2,27,28,34)