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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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