N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-hexoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide

Systemtic Name: N-[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]-4-hexoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide Openeye Name: N-[(3R)-1,1-dioxothiolan-3-yl]-4-hexoxy-N-[(3-methyl-2-thienyl)methyl]benzamide CAS Name: N-[(3R)-1,1-dioxo-3-thiolanyl]-4-hexoxy-N-[(3-methyl-2-thiophenyl)methyl]benzamide IUPAC Name: N-[(3R)-1,1-dioxothiolan-3-yl]-4-hexoxy-N-[(3-methylthiophen-2-yl)methyl]benzamide Traditional Name: N-[(3R)-1,1-diketothiolan-3-yl]-4-hexoxy-N-[(3-methyl-2-thienyl)methyl]benzamide Formula: C23H31NO4S2 MolecularWeight: 449.62654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)N(CC2=C(C=CS2)C)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)N(CC2=C(C=CS2)C)[C@@H]3CCS(=O)(=O)C3

InChI

InChI=1S/C23H31NO4S2/c1-3-4-5-6-13-28-21-9-7-19(8-10-21)23(25)24(16-22-18(2)11-14-29-22)20-12-15-30(26,27)17-20/h7-11,14,20H,3-6,12-13,15-17H2,1-2H3/t20-/m1/s1