5-(4-but-2-ynoxyphenyl)sulfanyl-3-methyl-N4-[6-(oxidanylamino)-6-oxidanylidene-hexyl]-2-phenethyl-benzene-1,4-dicarboxamide

Systemtic Name: 5-(4-but-2-ynoxyphenyl)sulfanyl-3-methyl-N4-[6-(oxidanylamino)-6-oxidanylidene-hexyl]-2-phenethyl-benzene-1,4-dicarboxamide Openeye Name: 5-(4-but-2-ynoxyphenyl)sulfanyl-N4-[6-(hydroxyamino)-6-oxo-hexyl]-3-methyl-2-phenethyl-terephthalamide CAS Name: 5-[(4-but-2-ynoxyphenyl)thio]-N4-[6-(hydroxyamino)-6-oxohexyl]-3-methyl-2-phenethylbenzene-1,4-dicarboxamide IUPAC Name: 5-(4-but-2-ynoxyphenyl)sulfanyl-4-N-[6-(hydroxyamino)-6-oxohexyl]-3-methyl-2-phenethylbenzene-1,4-dicarboxamide Traditional Name: 5-[(4-but-2-ynoxyphenyl)thio]-N'-[6-(hydroxyamino)-6-keto-hexyl]-3-methyl-2-phenethyl-terephthalamide Formula: C33H37N3O5S MolecularWeight: 587.72898

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCOC1=CC=C(C=C1)SC2=C(C(=C(C(=C2)C(=O)N)CCC3=CC=CC=C3)C)C(=O)NCCCCCC(=O)NO

Isomeric SMILES

CC#CCOC1=CC=C(C=C1)SC2=C(C(=C(C(=C2)C(=O)N)CCC3=CC=CC=C3)C)C(=O)NCCCCCC(=O)NO

InChI

InChI=1S/C33H37N3O5S/c1-3-4-21-41-25-15-17-26(18-16-25)42-29-22-28(32(34)38)27(19-14-24-11-7-5-8-12-24)23(2)31(29)33(39)35-20-10-6-9-13-30(37)36-40/h5,7-8,11-12,15-18,22,40H,6,9-10,13-14,19-21H2,1-2H3,(H2,34,38)(H,35,39)(H,36,37)