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

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-1-yl]thiochromen-4-one Openeye Name: 3-(4-benzhydrylpiperazin-1-yl)thiochromen-4-one CAS Name: 3-[4-(diphenylmethyl)-1-piperazinyl]-1-benzothiopyran-4-one IUPAC Name: 3-(4-benzhydrylpiperazin-1-yl)thiochromen-4-one Traditional Name: 3-(4-benzhydrylpiperazino)thiochromen-4-one Formula: C26H24N2OS MolecularWeight: 412.54656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CSC3=CC=CC=C3C2=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CSC3=CC=CC=C3C2=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H24N2OS/c29-26-22-13-7-8-14-24(22)30-19-23(26)27-15-17-28(18-16-27)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,19,25H,15-18H2