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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-(3-oxidanylpropyl)-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-(3-hydroxypropyl)-4-thioxo-7H-thieno[2,3-b]pyridine-5-carbothioamide CAS Name: N-[(4-chlorophenyl)methyl]-2-(3-hydroxypropyl)-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-(3-hydroxypropyl)-4-sulfanylidene-7H-thieno[2,3-b]pyridine-5-carbothioamide Traditional Name: N-(4-chlorobenzyl)-2-(3-hydroxypropyl)-4-thioxo-7H-thieno[2,3-b]pyridine-5-carbothioamide Formula: C18H17ClN2OS3 MolecularWeight: 408.98838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)C2=CNC3=C(C2=S)C=C(S3)CCCO)Cl

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)C2=CNC3=C(C2=S)C=C(S3)CCCO)Cl

InChI

InChI=1S/C18H17ClN2OS3/c19-12-5-3-11(4-6-12)9-20-17(24)15-10-21-18-14(16(15)23)8-13(25-18)2-1-7-22/h3-6,8,10,22H,1-2,7,9H2,(H,20,24)(H,21,23)