N-phenethyl-4-[1,1,4,4-tetrakis(oxidanylidene)-3,5-dihydro-2H-1,4-dithiepin-2-yl]benzamide

Systemtic Name: N-phenethyl-4-[1,1,4,4-tetrakis(oxidanylidene)-3,5-dihydro-2H-1,4-dithiepin-2-yl]benzamide Openeye Name: N-phenethyl-4-(1,1,4,4-tetraoxo-3,5-dihydro-2H-1,4-dithiepin-2-yl)benzamide CAS Name: N-phenethyl-4-(1,1,4,4-tetraoxo-3,5-dihydro-2H-1,4-dithiepin-2-yl)benzamide IUPAC Name: N-phenethyl-4-(1,1,4,4-tetraoxo-3,5-dihydro-2H-1,4-dithiepin-2-yl)benzamide Traditional Name: N-phenethyl-4-(1,1,4,4-tetraketo-3,5-dihydro-2H-1,4-dithiepin-2-yl)benzamide Formula: C20H21NO5S2 MolecularWeight: 419.51444

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CS(=O)(=O)C(CS1(=O)=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1C=CS(=O)(=O)C(CS1(=O)=O)C2=CC=C(C=C2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H21NO5S2/c22-20(21-12-11-16-5-2-1-3-6-16)18-9-7-17(8-10-18)19-15-27(23,24)13-4-14-28(19,25)26/h1-10,14,19H,11-13,15H2,(H,21,22)