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

Systemtic Name: N-[(4-bromophenyl)methyl]-7-methyl-2-(morpholin-4-ylmethyl)-4-sulfanylidene-thieno[2,3-b]pyridine-5-carbothioamide Openeye Name: N-[(4-bromophenyl)methyl]-7-methyl-2-(morpholinomethyl)-4-thioxo-thieno[2,3-b]pyridine-5-carbothioamide CAS Name: N-[(4-bromophenyl)methyl]-7-methyl-2-(4-morpholinylmethyl)-4-sulfanylidene-5-thieno[2,3-b]pyridinecarbothioamide IUPAC Name: N-[(4-bromophenyl)methyl]-7-methyl-2-(morpholin-4-ylmethyl)-4-sulfanylidenethieno[2,3-b]pyridine-5-carbothioamide Traditional Name: N-(4-bromobenzyl)-7-methyl-2-(morpholinomethyl)-4-thioxo-thieno[2,3-b]pyridine-5-carbothioamide Formula: C21H22BrN3OS3 MolecularWeight: 508.51788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=S)C2=C1SC(=C2)CN3CCOCC3)C(=S)NCC4=CC=C(C=C4)Br

Isomeric SMILES

CN1C=C(C(=S)C2=C1SC(=C2)CN3CCOCC3)C(=S)NCC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H22BrN3OS3/c1-24-13-18(20(28)23-11-14-2-4-15(22)5-3-14)19(27)17-10-16(29-21(17)24)12-25-6-8-26-9-7-25/h2-5,10,13H,6-9,11-12H2,1H3,(H,23,28)