6-bromanyl-3-[4-(phenylmethyl)piperidin-1-yl]thiochromen-4-one

Systemtic Name: 6-bromanyl-3-[4-(phenylmethyl)piperidin-1-yl]thiochromen-4-one Openeye Name: 3-(4-benzyl-1-piperidyl)-6-bromo-thiochromen-4-one CAS Name: 6-bromo-3-[4-(phenylmethyl)-1-piperidinyl]-1-benzothiopyran-4-one IUPAC Name: 3-(4-benzylpiperidin-1-yl)-6-bromothiochromen-4-one Traditional Name: 3-(4-benzylpiperidino)-6-bromo-thiochromen-4-one Formula: C21H20BrNOS MolecularWeight: 414.3586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=CSC4=C(C3=O)C=C(C=C4)Br

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=CSC4=C(C3=O)C=C(C=C4)Br

InChI

InChI=1S/C21H20BrNOS/c22-17-6-7-20-18(13-17)21(24)19(14-25-20)23-10-8-16(9-11-23)12-15-4-2-1-3-5-15/h1-7,13-14,16H,8-12H2