9,10,10-tris(oxidanylidene)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thioxanthene-3-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-[2-(3-thienylmethylsulfanyl)ethyl]thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-[2-(3-thiophenylmethylthio)ethyl]-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-[2-(3-thenylthio)ethyl]thioxanthene-3-carboxamide Formula: C21H17NO4S3 MolecularWeight: 443.55898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NCCSCC4=CSC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)NCCSCC4=CSC=C4

InChI

InChI=1S/C21H17NO4S3/c23-20-16-3-1-2-4-18(16)29(25,26)19-11-15(5-6-17(19)20)21(24)22-8-10-28-13-14-7-9-27-12-14/h1-7,9,11-12H,8,10,13H2,(H,22,24)