N-[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(oxidanylamino)-6-oxidanylidene-hexyl]-2-phenethyl-benzamide

Systemtic Name: N-[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(oxidanylamino)-6-oxidanylidene-hexyl]-2-phenethyl-benzamide Openeye Name: N-[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(hydroxyamino)-6-oxo-hexyl]-2-phenethyl-benzamide CAS Name: N-[5-[(4-but-2-ynoxyphenyl)thio]-6-(hydroxyamino)-6-oxohexyl]-2-phenethylbenzamide IUPAC Name: N-[5-(4-but-2-ynoxyphenyl)sulfanyl-6-(hydroxyamino)-6-oxohexyl]-2-phenethylbenzamide Traditional Name: N-[5-[(4-but-2-ynoxyphenyl)thio]-6-(hydroxyamino)-6-keto-hexyl]-2-phenethyl-benzamide Formula: C31H34N2O4S MolecularWeight: 530.67766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)C2=CC=CC=C2CCC3=CC=CC=C3)C(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC(CCCCNC(=O)C2=CC=CC=C2CCC3=CC=CC=C3)C(=O)NO

InChI

InChI=1S/C31H34N2O4S/c1-2-3-23-37-26-18-20-27(21-19-26)38-29(31(35)33-36)15-9-10-22-32-30(34)28-14-8-7-13-25(28)17-16-24-11-5-4-6-12-24/h4-8,11-14,18-21,29,36H,9-10,15-17,22-23H2,1H3,(H,32,34)(H,33,35)