N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-(2-phenoxyethanoyl)piperidine-4-carboxamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-(2-phenoxyethanoyl)piperidine-4-carboxamide Openeye Name: N-(6-chlorothiochroman-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(1-oxo-2-phenoxyethyl)-4-piperidinecarboxamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide Traditional Name: N-(6-chlorothiochroman-4-yl)-1-(2-phenoxyacetyl)isonipecotamide Formula: C23H25ClN2O3S MolecularWeight: 444.9742

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2CCSC3=C2C=C(C=C3)Cl)C(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2CCSC3=C2C=C(C=C3)Cl)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C23H25ClN2O3S/c24-17-6-7-21-19(14-17)20(10-13-30-21)25-23(28)16-8-11-26(12-9-16)22(27)15-29-18-4-2-1-3-5-18/h1-7,14,16,20H,8-13,15H2,(H,25,28)