2-azanyl-1-(4-ethylpiperidin-1-yl)-4-[[1-(triphenylmethyl)imidazol-4-yl]methylsulfanyl]butan-1-one

Systemtic Name: 2-azanyl-1-(4-ethylpiperidin-1-yl)-4-[[1-(triphenylmethyl)imidazol-4-yl]methylsulfanyl]butan-1-one Openeye Name: 2-amino-1-(4-ethyl-1-piperidyl)-4-[(1-tritylimidazol-4-yl)methylsulfanyl]butan-1-one CAS Name: 2-amino-1-(4-ethyl-1-piperidinyl)-4-[[1-(triphenylmethyl)-4-imidazolyl]methylthio]-1-butanone IUPAC Name: 2-amino-1-(4-ethylpiperidin-1-yl)-4-[(1-tritylimidazol-4-yl)methylsulfanyl]butan-1-one Traditional Name: 2-amino-1-(4-ethylpiperidino)-4-[(1-tritylimidazol-4-yl)methylthio]butan-1-one Formula: C34H40N4OS MolecularWeight: 552.7726

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCN(CC1)C(=O)C(CCSCC2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N

Isomeric SMILES

CCC1CCN(CC1)C(=O)C(CCSCC2=CN(C=N2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)N

InChI

InChI=1S/C34H40N4OS/c1-2-27-18-21-37(22-19-27)33(39)32(35)20-23-40-25-31-24-38(26-36-31)34(28-12-6-3-7-13-28,29-14-8-4-9-15-29)30-16-10-5-11-17-30/h3-17,24,26-27,32H,2,18-23,25,35H2,1H3