N-cyclohexyl-N-methyl-2-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide

Systemtic Name: N-cyclohexyl-N-methyl-2-[[4-(2-phenoxyethoxy)phenyl]carbonylcarbamothioylamino]benzamide Openeye Name: N-cyclohexyl-N-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide CAS Name: N-cyclohexyl-N-methyl-2-[[[[oxo-[4-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]amino]benzamide IUPAC Name: N-cyclohexyl-N-methyl-2-[[4-(2-phenoxyethoxy)benzoyl]carbamothioylamino]benzamide Traditional Name: N-cyclohexyl-N-methyl-2-[[4-(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=C(C=C3)OCCOC4=CC=CC=C4

Isomeric SMILES

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

InChI

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