6-bromanyl-3-[4-(diphenylmethyl)piperazin-1-yl]thiochromen-4-one

Systemtic Name: 6-bromanyl-3-[4-(diphenylmethyl)piperazin-1-yl]thiochromen-4-one Openeye Name: 3-(4-benzhydrylpiperazin-1-yl)-6-bromo-thiochromen-4-one CAS Name: 6-bromo-3-[4-(diphenylmethyl)-1-piperazinyl]-1-benzothiopyran-4-one IUPAC Name: 3-(4-benzhydrylpiperazin-1-yl)-6-bromothiochromen-4-one Traditional Name: 3-(4-benzhydrylpiperazino)-6-bromo-thiochromen-4-one Formula: C26H23BrN2OS MolecularWeight: 491.44262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CSC3=C(C2=O)C=C(C=C3)Br)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CSC3=C(C2=O)C=C(C=C3)Br)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H23BrN2OS/c27-21-11-12-24-22(17-21)26(30)23(18-31-24)28-13-15-29(16-14-28)25(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-12,17-18,25H,13-16H2