2-[(4-chloranyl-2-ethanoyl-phenoxy)methyl]-N-(diphenylmethyl)morpholine-4-carbothioamide

Systemtic Name: 2-[(4-chloranyl-2-ethanoyl-phenoxy)methyl]-N-(diphenylmethyl)morpholine-4-carbothioamide Openeye Name: 2-[(2-acetyl-4-chloro-phenoxy)methyl]-N-benzhydryl-morpholine-4-carbothioamide CAS Name: 2-[(2-acetyl-4-chlorophenoxy)methyl]-N-(diphenylmethyl)-4-morpholinecarbothioamide IUPAC Name: 2-[(2-acetyl-4-chlorophenoxy)methyl]-N-benzhydrylmorpholine-4-carbothioamide Traditional Name: 2-[(2-acetyl-4-chloro-phenoxy)methyl]-N-benzhydryl-morpholine-4-carbothioamide Formula: C27H27ClN2O3S MolecularWeight: 495.03288

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CC(=C1)Cl)OCC2CN(CCO2)C(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(C=CC(=C1)Cl)OCC2CN(CCO2)C(=S)NC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27ClN2O3S/c1-19(31)24-16-22(28)12-13-25(24)33-18-23-17-30(14-15-32-23)27(34)29-26(20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-13,16,23,26H,14-15,17-18H2,1H3,(H,29,34)