4-ethylsulfanyl-N-(3-methylsulfanylpropyl)-3-[(4-undecoxyphenyl)carbonylamino]benzamide

Systemtic Name: 4-ethylsulfanyl-N-(3-methylsulfanylpropyl)-3-[(4-undecoxyphenyl)carbonylamino]benzamide Openeye Name: 4-ethylsulfanyl-N-(3-methylsulfanylpropyl)-3-[(4-undecoxybenzoyl)amino]benzamide CAS Name: 4-(ethylthio)-N-[3-(methylthio)propyl]-3-[[oxo-(4-undecoxyphenyl)methyl]amino]benzamide IUPAC Name: 4-ethylsulfanyl-N-(3-methylsulfanylpropyl)-3-[(4-undecoxybenzoyl)amino]benzamide Traditional Name: 4-(ethylthio)-N-[3-(methylthio)propyl]-3-[(4-undecoxybenzoyl)amino]benzamide Formula: C31H46N2O3S2 MolecularWeight: 558.83854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NCCCSC)SCC

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NCCCSC)SCC

InChI

InChI=1S/C31H46N2O3S2/c1-4-6-7-8-9-10-11-12-13-22-36-27-18-15-25(16-19-27)31(35)33-28-24-26(17-20-29(28)38-5-2)30(34)32-21-14-23-37-3/h15-20,24H,4-14,21-23H2,1-3H3,(H,32,34)(H,33,35)