methyl 3-chloranyl-6-[(4-morpholin-4-ylcarbonylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(4-morpholin-4-ylcarbonylphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[4-morpholinyl(oxo)methyl]anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-(morpholine-4-carbonyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-(morpholine-4-carbonyl)phenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H20ClN3O4S2 MolecularWeight: 489.9949

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCOCC4)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)C(=O)N4CCOCC4)Cl

InChI

InChI=1S/C22H20ClN3O4S2/c1-29-21(28)19-18(23)16-7-6-15(12-17(16)32-19)25-22(31)24-14-4-2-13(3-5-14)20(27)26-8-10-30-11-9-26/h2-7,12H,8-11H2,1H3,(H2,24,25,31)