N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-(3,5-dimethoxyphenyl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-(3,5-dimethoxyphenyl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(6-chlorothiochroman-4-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-[(3,5-dimethoxyphenyl)-oxomethyl]-4-piperidinecarboxamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide Traditional Name: N-(6-chlorothiochroman-4-yl)-1-(3,5-dimethoxybenzoyl)isonipecotamide Formula: C24H27ClN2O4S MolecularWeight: 475.00018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCC(CC2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCC(CC2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl)OC

InChI

InChI=1S/C24H27ClN2O4S/c1-30-18-11-16(12-19(14-18)31-2)24(29)27-8-5-15(6-9-27)23(28)26-21-7-10-32-22-4-3-17(25)13-20(21)22/h3-4,11-15,21H,5-10H2,1-2H3,(H,26,28)