N-[(4,6-dimethyl-1,3-dithian-2-yl)methyl]-2-[hexoxy-(2-nitrophenyl)phosphinothioyl]sulfanyl-butanamide

Systemtic Name: N-[(4,6-dimethyl-1,3-dithian-2-yl)methyl]-2-[hexoxy-(2-nitrophenyl)phosphinothioyl]sulfanyl-butanamide Openeye Name: N-[(4,6-dimethyl-1,3-dithian-2-yl)methyl]-2-[hexoxy-(2-nitrophenyl)phosphinothioyl]sulfanyl-butanamide CAS Name: N-[(4,6-dimethyl-1,3-dithian-2-yl)methyl]-2-[[hexoxy-(2-nitrophenyl)phosphinothioyl]thio]butanamide IUPAC Name: N-[(4,6-dimethyl-1,3-dithian-2-yl)methyl]-2-[hexoxy-(2-nitrophenyl)phosphinothioyl]sulfanylbutanamide Traditional Name: N-[(4,6-dimethyl-1,3-dithian-2-yl)methyl]-2-[[hexoxy-(2-nitrophenyl)thiophosphoryl]thio]butyramide Formula: C23H37N2O4PS4 MolecularWeight: 564.784641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOP(=S)(C1=CC=CC=C1[N+](=O)[O-])SC(CC)C(=O)NCC2SC(CC(S2)C)C

Isomeric SMILES

CCCCCCOP(=S)(C1=CC=CC=C1[N+](=O)[O-])SC(CC)C(=O)NCC2SC(CC(S2)C)C

InChI

InChI=1S/C23H37N2O4PS4/c1-5-7-8-11-14-29-30(31,20-13-10-9-12-19(20)25(27)28)34-21(6-2)23(26)24-16-22-32-17(3)15-18(4)33-22/h9-10,12-13,17-18,21-22H,5-8,11,14-16H2,1-4H3,(H,24,26)