[4-[2-(diphenylmethyl)oxyethyl]piperazin-1-yl]-(2-propylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-[2-(diphenylmethyl)oxyethyl]piperazin-1-yl]-(2-propylsulfanylpyridin-3-yl)methanone Openeye Name: [4-(2-benzhydryloxyethyl)piperazin-1-yl]-(2-propylsulfanyl-3-pyridyl)methanone CAS Name: [4-[2-(diphenylmethyl)oxyethyl]-1-piperazinyl]-[2-(propylthio)-3-pyridinyl]methanone IUPAC Name: [4-(2-benzhydryloxyethyl)piperazin-1-yl]-(2-propylsulfanylpyridin-3-yl)methanone Traditional Name: [4-(2-benzhydryloxyethyl)piperazino]-[2-(propylthio)-3-pyridyl]methanone Formula: C28H33N3O2S MolecularWeight: 475.64552

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC=N1)C(=O)N2CCN(CC2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCSC1=C(C=CC=N1)C(=O)N2CCN(CC2)CCOC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H33N3O2S/c1-2-22-34-27-25(14-9-15-29-27)28(32)31-18-16-30(17-19-31)20-21-33-26(23-10-5-3-6-11-23)24-12-7-4-8-13-24/h3-15,26H,2,16-22H2,1H3