N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

Systemtic Name: N-[(4S)-6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide Openeye Name: N-[(4S)-6-chlorothiochroman-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide CAS Name: N-[(4S)-6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-1-(2,2-dimethyl-1-oxopropyl)-4-piperidinecarboxamide IUPAC Name: N-[(4S)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide Traditional Name: N-[(4S)-6-chlorothiochroman-4-yl]-1-pivaloyl-isonipecotamide Formula: C20H27ClN2O2S MolecularWeight: 394.95858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)N1CCC(CC1)C(=O)NC2CCSC3=C2C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C(=O)N1CCC(CC1)C(=O)N[C@H]2CCSC3=C2C=C(C=C3)Cl

InChI

InChI=1S/C20H27ClN2O2S/c1-20(2,3)19(25)23-9-6-13(7-10-23)18(24)22-16-8-11-26-17-5-4-14(21)12-15(16)17/h4-5,12-13,16H,6-11H2,1-3H3,(H,22,24)/t16-/m0/s1