N-[(4-chlorophenyl)methyl]-7-methyl-2-morpholin-4-ylcarbonyl-4-sulfanylidene-thieno[2,3-b]pyridine-5-carbothioamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-7-methyl-2-morpholin-4-ylcarbonyl-4-sulfanylidene-thieno[2,3-b]pyridine-5-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-7-methyl-2-(morpholine-4-carbonyl)-4-thioxo-thieno[2,3-b]pyridine-5-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-7-methyl-2-[4-morpholinyl(oxo)methyl]-4-sulfanylidene-5-thieno[2,3-b]pyridinecarbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-7-methyl-2-(morpholine-4-carbonyl)-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide Traditional Name: N-(4-chlorobenzyl)-7-methyl-2-(morpholine-4-carbonyl)-4-thioxo-thieno[2,3-b]pyridine-5-carbothioamide Formula: C21H20ClN3O2S3 MolecularWeight: 478.0504

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=S)C2=C1SC(=C2)C(=O)N3CCOCC3)C(=S)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C=C(C(=S)C2=C1SC(=C2)C(=O)N3CCOCC3)C(=S)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H20ClN3O2S3/c1-24-12-16(19(29)23-11-13-2-4-14(22)5-3-13)18(28)15-10-17(30-21(15)24)20(26)25-6-8-27-9-7-25/h2-5,10,12H,6-9,11H2,1H3,(H,23,29)