2-methyl-5-[2-(4-octadecoxyphenyl)propanoylamino]benzenecarbothioic S-acid

Systemtic Name: 2-methyl-5-[2-(4-octadecoxyphenyl)propanoylamino]benzenecarbothioic S-acid Openeye Name: 2-methyl-5-[2-(4-octadecoxyphenyl)propanoylamino]benzenecarbothioic S-acid CAS Name: 2-methyl-5-[[2-(4-octadecoxyphenyl)-1-oxopropyl]amino]benzenecarbothioic S-acid IUPAC Name: 2-methyl-5-[2-(4-octadecoxyphenyl)propanoylamino]benzenecarbothioic S-acid Traditional Name: 2-methyl-5-[2-(4-stearyloxyphenyl)propanoylamino]thiobenzoic acid Formula: C35H53NO3S MolecularWeight: 567.86522

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(C)C(=O)NC2=CC(=C(C=C2)C)C(=O)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(C)C(=O)NC2=CC(=C(C=C2)C)C(=O)S

InChI

InChI=1S/C35H53NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-39-32-24-21-30(22-25-32)29(3)34(37)36-31-23-20-28(2)33(27-31)35(38)40/h20-25,27,29H,4-19,26H2,1-3H3,(H,36,37)(H,38,40)