1-[4-(diphenylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfanyl-propan-1-one Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxyphenyl)sulfanyl-propan-1-one CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-2-[(4-methoxyphenyl)thio]-1-propanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-(4-methoxyphenyl)sulfanylpropan-1-one Traditional Name: 1-(4-benzhydrylpiperazino)-2-[(4-methoxyphenyl)thio]propan-1-one Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)SC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)SC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H30N2O2S/c1-21(32-25-15-13-24(31-2)14-16-25)27(30)29-19-17-28(18-20-29)26(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-16,21,26H,17-20H2,1-2H3