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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-morpholin-4-ylcarbonyl-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-4-thioxo-7H-thieno[2,3-b]pyridine-5-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[4-morpholinyl(oxo)methyl]-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide Traditional Name: N-(4-chlorobenzyl)-2-(morpholine-4-carbonyl)-4-thioxo-7H-thieno[2,3-b]pyridine-5-carbothioamide Formula: C20H18ClN3O2S3 MolecularWeight: 464.02382

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)C2=CC3=C(S2)NC=C(C3=S)C(=S)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1COCCN1C(=O)C2=CC3=C(S2)NC=C(C3=S)C(=S)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H18ClN3O2S3/c21-13-3-1-12(2-4-13)10-22-18(28)15-11-23-19-14(17(15)27)9-16(29-19)20(25)24-5-7-26-8-6-24/h1-4,9,11H,5-8,10H2,(H,22,28)(H,23,27)