N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-thiochromene-3-carboxamide

Systemtic Name: N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-thiochromene-3-carboxamide Openeye Name: N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-thiochromene-3-carboxamide CAS Name: N-[4-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]butyl]-2H-1-benzothiopyran-3-carboxamide IUPAC Name: N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-2H-thiochromene-3-carboxamide Traditional Name: N-[4-[4-[3-(trifluoromethyl)phenyl]piperazino]butyl]-2H-thiochromene-3-carboxamide Formula: C25H28F3N3OS MolecularWeight: 475.56953

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3SC2)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)C2=CC3=CC=CC=C3SC2)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C25H28F3N3OS/c26-25(27,28)21-7-5-8-22(17-21)31-14-12-30(13-15-31)11-4-3-10-29-24(32)20-16-19-6-1-2-9-23(19)33-18-20/h1-2,5-9,16-17H,3-4,10-15,18H2,(H,29,32)