N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(3-chlorophenyl)methyl]-4-heptoxy-benzamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-[(3-chlorophenyl)methyl]-4-heptoxy-benzamide Openeye Name: N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-heptoxy-benzamide CAS Name: N-[(3-chlorophenyl)methyl]-N-(1,1-dioxo-3-thiolanyl)-4-heptoxybenzamide IUPAC Name: N-[(3-chlorophenyl)methyl]-N-(1,1-dioxothiolan-3-yl)-4-heptoxybenzamide Traditional Name: N-(3-chlorobenzyl)-N-(1,1-diketothiolan-3-yl)-4-heptoxy-benzamide Formula: C25H32ClNO4S MolecularWeight: 478.04388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)Cl)C3CCS(=O)(=O)C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)N(CC2=CC(=CC=C2)Cl)C3CCS(=O)(=O)C3

InChI

InChI=1S/C25H32ClNO4S/c1-2-3-4-5-6-15-31-24-12-10-21(11-13-24)25(28)27(23-14-16-32(29,30)19-23)18-20-8-7-9-22(26)17-20/h7-13,17,23H,2-6,14-16,18-19H2,1H3