4-methylsulfanyl-N-(2-methylsulfanylethyl)-3-[(4-undecoxyphenyl)carbonylamino]benzamide

Systemtic Name: 4-methylsulfanyl-N-(2-methylsulfanylethyl)-3-[(4-undecoxyphenyl)carbonylamino]benzamide Openeye Name: 4-methylsulfanyl-N-(2-methylsulfanylethyl)-3-[(4-undecoxybenzoyl)amino]benzamide CAS Name: 4-(methylthio)-N-[2-(methylthio)ethyl]-3-[[oxo-(4-undecoxyphenyl)methyl]amino]benzamide IUPAC Name: 4-methylsulfanyl-N-(2-methylsulfanylethyl)-3-[(4-undecoxybenzoyl)amino]benzamide Traditional Name: 4-(methylthio)-N-[2-(methylthio)ethyl]-3-[(4-undecoxybenzoyl)amino]benzamide Formula: C29H42N2O3S2 MolecularWeight: 530.78538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NCCSC)SC

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)NCCSC)SC

InChI

InChI=1S/C29H42N2O3S2/c1-4-5-6-7-8-9-10-11-12-20-34-25-16-13-23(14-17-25)29(33)31-26-22-24(15-18-27(26)36-3)28(32)30-19-21-35-2/h13-18,22H,4-12,19-21H2,1-3H3,(H,30,32)(H,31,33)