3-chloranyl-N-[4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]phenyl]benzamide

Systemtic Name: 3-chloranyl-N-[4-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylcarbamothioylamino]phenyl]benzamide Openeye Name: 3-chloro-N-[4-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]carbamothioylamino]phenyl]benzamide CAS Name: 3-chloro-N-[4-[[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 3-chloro-N-[4-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]carbamothioylamino]phenyl]benzamide Traditional Name: 3-chloro-N-[4-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]thiocarbamoylamino]phenyl]benzamide Formula: C26H26ClN3O3S MolecularWeight: 496.02094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C26H26ClN3O3S/c1-16(2)22-12-7-17(3)13-23(22)33-15-24(31)30-26(34)29-21-10-8-20(9-11-21)28-25(32)18-5-4-6-19(27)14-18/h4-14,16H,15H2,1-3H3,(H,28,32)(H2,29,30,31,34)