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

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-(3,5-dimethylphenyl)carbonyl-piperidine-3-carboxamide Openeye Name: N-(6-chlorothiochroman-4-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-[(3,5-dimethylphenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide Traditional Name: N-(6-chlorothiochroman-4-yl)-1-(3,5-dimethylbenzoyl)nipecotamide Formula: C24H27ClN2O2S MolecularWeight: 443.00138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)N2CCCC(C2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)N2CCCC(C2)C(=O)NC3CCSC4=C3C=C(C=C4)Cl)C

InChI

InChI=1S/C24H27ClN2O2S/c1-15-10-16(2)12-18(11-15)24(29)27-8-3-4-17(14-27)23(28)26-21-7-9-30-22-6-5-19(25)13-20(21)22/h5-6,10-13,17,21H,3-4,7-9,14H2,1-2H3,(H,26,28)