N-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-spiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-spiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide Openeye Name: N-(3-chloro-2-methyl-phenyl)-4-oxo-spiro[chromane-2,4'-piperidine]-1'-carbothioamide CAS Name: N-(3-chloro-2-methylphenyl)-4-oxo-1'-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]carbothioamide IUPAC Name: N-(3-chloro-2-methylphenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide Traditional Name: N-(3-chloro-2-methyl-phenyl)-4-keto-spiro[chroman-2,4'-piperidine]-1'-carbothioamide Formula: C21H21ClN2O2S MolecularWeight: 400.92164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCC3(CC2)CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCC3(CC2)CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C21H21ClN2O2S/c1-14-16(22)6-4-7-17(14)23-20(27)24-11-9-21(10-12-24)13-18(25)15-5-2-3-8-19(15)26-21/h2-8H,9-13H2,1H3,(H,23,27)