2-[2-(4-nitrophenyl)ethyl]-4-pentoxy-3-pentyl-benzenecarbothioamide

Systemtic Name: 2-[2-(4-nitrophenyl)ethyl]-4-pentoxy-3-pentyl-benzenecarbothioamide Openeye Name: 2-[2-(4-nitrophenyl)ethyl]-4-pentoxy-3-pentyl-benzenecarbothioamide CAS Name: 2-[2-(4-nitrophenyl)ethyl]-4-pentoxy-3-pentylbenzenecarbothioamide IUPAC Name: 2-[2-(4-nitrophenyl)ethyl]-4-pentoxy-3-pentylbenzenecarbothioamide Traditional Name: 4-amoxy-3-amyl-2-[2-(4-nitrophenyl)ethyl]thiobenzamide Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC(=C1CCC2=CC=C(C=C2)[N+](=O)[O-])C(=S)N)OCCCCC

Isomeric SMILES

CCCCCC1=C(C=CC(=C1CCC2=CC=C(C=C2)[N+](=O)[O-])C(=S)N)OCCCCC

InChI

InChI=1S/C25H34N2O3S/c1-3-5-7-9-22-21(15-12-19-10-13-20(14-11-19)27(28)29)23(25(26)31)16-17-24(22)30-18-8-6-4-2/h10-11,13-14,16-17H,3-9,12,15,18H2,1-2H3,(H2,26,31)