N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide

Systemtic Name: N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide CAS Name: N-cyclohexyl-N-methyl-2-[[[[oxo-[3-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-cyclohexyl-N-methyl-2-[[3-(2-phenoxyethoxy)benzoyl]thiocarbamoylamino]benzamide Formula: C30H33N3O4S MolecularWeight: 531.66572

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

CN(C1CCCCC1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC(=CC=C3)OCCOC4=CC=CC=C4

InChI

InChI=1S/C30H33N3O4S/c1-33(23-12-4-2-5-13-23)29(35)26-17-8-9-18-27(26)31-30(38)32-28(34)22-11-10-16-25(21-22)37-20-19-36-24-14-6-3-7-15-24/h3,6-11,14-18,21,23H,2,4-5,12-13,19-20H2,1H3,(H2,31,32,34,38)