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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N2CCC3(CC2)CC(=O)C4=CC=CC=C4O3)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N2CCC3(CC2)CC(=O)C4=CC=CC=C4O3)Cl

InChI

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