2-methoxy-3-(4-octadecoxyphenyl)-3-oxidanylidene-N-phenyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide

Systemtic Name: 2-methoxy-3-(4-octadecoxyphenyl)-3-oxidanylidene-N-phenyl-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanamide Openeye Name: 2-methoxy-3-(4-octadecoxyphenyl)-3-oxo-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanyl-propanamide CAS Name: 2-methoxy-3-(4-octadecoxyphenyl)-3-oxo-N-phenyl-2-[(1-phenyl-5-tetrazolyl)thio]propanamide IUPAC Name: 2-methoxy-3-(4-octadecoxyphenyl)-3-oxo-N-phenyl-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide Traditional Name: 3-keto-2-methoxy-N-phenyl-2-[(1-phenyltetrazol-5-yl)thio]-3-(4-stearyloxyphenyl)propionamide Formula: C41H55N5O4S MolecularWeight: 713.9715

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C(C(=O)NC2=CC=CC=C2)(OC)SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C(C(=O)NC2=CC=CC=C2)(OC)SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C41H55N5O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-33-50-37-31-29-34(30-32-37)38(47)41(49-2,39(48)42-35-25-20-18-21-26-35)51-40-43-44-45-46(40)36-27-22-19-23-28-36/h18-23,25-32H,3-17,24,33H2,1-2H3,(H,42,48)