N-[4-oxidanylidene-2-(phenylmethyl)-6-sulfanylidene-thieno[2,3-d]pyrimidin-5-yl]-1-benzothiophene-3-carboxamide

Systemtic Name: N-[4-oxidanylidene-2-(phenylmethyl)-6-sulfanylidene-thieno[2,3-d]pyrimidin-5-yl]-1-benzothiophene-3-carboxamide Openeye Name: N-(2-benzyl-4-oxo-6-thioxo-thieno[2,3-d]pyrimidin-5-yl)benzothiophene-3-carboxamide CAS Name: N-[4-oxo-2-(phenylmethyl)-6-sulfanylidene-5-thieno[2,3-d]pyrimidinyl]-1-benzothiophene-3-carboxamide IUPAC Name: N-(2-benzyl-4-oxo-6-sulfanylidenethieno[2,3-d]pyrimidin-5-yl)-1-benzothiophene-3-carboxamide Traditional Name: N-(2-benzyl-4-keto-6-thioxo-thieno[2,3-d]pyrimidin-5-yl)benzothiophene-3-carboxamide Formula: C22H13N3O2S3 MolecularWeight: 447.55252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC(=O)C3=C(C(=S)SC3=N2)NC(=O)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC(=O)C3=C(C(=S)SC3=N2)NC(=O)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C22H13N3O2S3/c26-19(14-11-29-15-9-5-4-8-13(14)15)25-18-17-20(27)23-16(24-21(17)30-22(18)28)10-12-6-2-1-3-7-12/h1-9,11H,10H2,(H,25,26)