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

Systemtic Name: N-(3-methoxyphenyl)-4-oxidanylidene-spiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide Openeye Name: N-(3-methoxyphenyl)-4-oxo-spiro[chromane-2,4'-piperidine]-1'-carbothioamide CAS Name: N-(3-methoxyphenyl)-4-oxo-1'-spiro[3,4-dihydro-2H-1-benzopyran-2,4'-piperidine]carbothioamide IUPAC Name: N-(3-methoxyphenyl)-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide Traditional Name: 4-keto-N-(3-methoxyphenyl)spiro[chroman-2,4'-piperidine]-1'-carbothioamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCC3(CC2)CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCC3(CC2)CC(=O)C4=CC=CC=C4O3

InChI

InChI=1S/C21H22N2O3S/c1-25-16-6-4-5-15(13-16)22-20(27)23-11-9-21(10-12-23)14-18(24)17-7-2-3-8-19(17)26-21/h2-8,13H,9-12,14H2,1H3,(H,22,27)